6-methylheptyl diphenyl phosphite

C20H27O3P — CID 14440923

IUPAC6-methylheptyl diphenyl phosphite
SMILESCC(C)CCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3
InChIKeyYEQHNTCMAVPEKP-UHFFFAOYSA-N
MW346.41 g/mol
LogP6.60
Rot. Bonds11

About 6-methylheptyl diphenyl phosphite

6-methylheptyl diphenyl phosphite (PubChem CID 14440923) has the molecular formula C20H27O3P and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-methylheptyl diphenyl phosphite.

Molecular Properties

Compound Name6-methylheptyl diphenyl phosphite
PubChem CID14440923
Molecular FormulaC20H27O3P
Molecular Weight346.41 g/mol
Exact Mass346.17
IUPAC Name6-methylheptyl diphenyl phosphite
SMILESCC(C)CCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3
InChIKeyYEQHNTCMAVPEKP-UHFFFAOYSA-N
XLogP6.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptyl diphenyl phosphite?
The IUPAC name of 6-methylheptyl diphenyl phosphite (CID 14440923) is 6-methylheptyl diphenyl phosphite.
What is the SMILES notation for 6-methylheptyl diphenyl phosphite?
The canonical SMILES for 6-methylheptyl diphenyl phosphite is CC(C)CCCCCOP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 6-methylheptyl diphenyl phosphite?
The InChIKey is YEQHNTCMAVPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3.
What are the key properties of 6-methylheptyl diphenyl phosphite?
6-methylheptyl diphenyl phosphite has a molecular weight of 346.41 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptyl diphenyl phosphite is sourced from PubChem (CID 14440923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).