2 5-Bis(chloromethyl)-1 4-bis(octyloxy)&

• Catalog Number: ACM174230683
• Product Name: 2 5-Bis(chloromethyl)-1 4-bis(octyloxy)&
• CAS: 174230-68-3
• Category: Organic & Printed Electronics
• Synonyms: 2 5-BIS(CHLOROMETHYL)-1 4-BIS(OCTYLOXY)&
• IUPAC Name: 1,4-bis(chloromethyl)-2,5-dioctoxybenzene
• Molecular Weight: 431.5g/mol
• Molecular Formula: C24H40Cl2O2
• Canonical SMILES: CCCCCCCCOC1=CC(=C(C=C1CCl)OCCCCCCCC)CCl
• InChI: InChI=1S/C24H40Cl2O2/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3
• InChI Key: MPZDRVMBDAPSSQ-UHFFFAOYSA-N
• Complexity: 309
• Covalently-Bonded Unit Count: 1
• Exact Mass: 430.240536g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 28
• Monoisotopic Mass: 430.240536g/mol
• Rotatable Bond Count: 18
• XLogP3: 9.5

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C24H40Cl2O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 431.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1,4-bis(chloromethyl)-2,5-dioctoxybenzene.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C24H40Cl2O2/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is MPZDRVMBDAPSSQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCCCCCOC1=CC(=C(C=C1CCl)OCCCCCCCC)CCl.

What is the CAS number of the compound?

The CAS number of the compound is 174230-68-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 9.5.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.