CAS
942-89-2 Purity
96%
942-89-2 Purity
96%
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2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one
CAS
94291-46-0
Catalog Number
ACM94291460
Category
Other Products
Molecular Weight
206.323880 [g/mol]
Molecular Formula
C14H22O
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Specification
Synonyms
EINECS 304-870-5, CID3024271, 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one, 94291-46-0
IUPAC Name
2,7-dimethyl-4-propan-2-yl-2,3,4,5,6,7-hexahydroinden-1-one
Canonical SMILES
CC1CCC(C2=C1C(=O)C(C2)C)C(C)C
InChI Key
LLSSPTISLIDNTK-UHFFFAOYSA-N
Boiling Point
303.8ºC at 760mmHg
Flash Point
133.7ºC
Density
0.96g/cm³
EC Number
304-870-5
Exact Mass
206.16700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The molecular formula is C14H22O.
What is the molecular weight of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The molecular weight is 206.32 g/mol.
When was PubChem CID 3024271 created?
It was created on 2005-08-08.
What is the IUPAC name of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The IUPAC name is 2,7-dimethyl-4-propan-2-yl-2,3,4,5,6,7-hexahydroinden-1-one.
What is the Canonical SMILES of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The Canonical SMILES is CC1CCC(C2=C1C(=O)C(C2)C)C(C)C.
What is the InChIKey of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The InChIKey is LLSSPTISLIDNTK-UHFFFAOYSA-N.
How many hydrogen bond donor count does 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one have?
It has 0 hydrogen bond donor count.
What is the topological polar surface area of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
The topological polar surface area is 17.1 Ų.
How many heavy atoms are present in 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?
There are 15 heavy atoms.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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