octadecyl [chloro(methoxy)phosphoryl]formate

C20H40ClO4P — CID 10835420

IUPACoctadecyl [chloro(methoxy)phosphoryl]formate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(Cl)OC
InChIInChI=1S/C20H40ClO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20(22)26(21,23)24-2/h3-19H2,1-2H3
InChIKeyZYQVDHHIOHSQIZ-UHFFFAOYSA-N
MW410.96 g/mol
LogP8.46
Rot. Bonds19

About octadecyl [chloro(methoxy)phosphoryl]formate

octadecyl [chloro(methoxy)phosphoryl]formate (PubChem CID 10835420) has the molecular formula C20H40ClO4P and a molecular weight of 410.96 g/mol. Its IUPAC name is octadecyl [chloro(methoxy)phosphoryl]formate.

Molecular Properties

Compound Nameoctadecyl [chloro(methoxy)phosphoryl]formate
PubChem CID10835420
Molecular FormulaC20H40ClO4P
Molecular Weight410.96 g/mol
Exact Mass410.24
IUPAC Nameoctadecyl [chloro(methoxy)phosphoryl]formate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(Cl)OC
InChIInChI=1S/C20H40ClO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20(22)26(21,23)24-2/h3-19H2,1-2H3
InChIKeyZYQVDHHIOHSQIZ-UHFFFAOYSA-N
XLogP8.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.96
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-chloro-3-fluoropropanoate
CID 169291146
nonadecyl carbonochloridate
CID 20513602
henicosyl carbonochloridate
CID 14150828
nonyl 2-chloropropanoate
CID 527519
octadecyl 2-chloro-2-hydroxyacetate
CID 174607709
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
ditridecyl oxalate
CID 18377796
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
chloro hexyl carbonate
CID 90046740
dipentyl 2,3-dichlorobutanedioate
CID 87640918

Frequently Asked Questions

What is the IUPAC name of octadecyl [chloro(methoxy)phosphoryl]formate?
The IUPAC name of octadecyl [chloro(methoxy)phosphoryl]formate (CID 10835420) is octadecyl [chloro(methoxy)phosphoryl]formate.
What is the SMILES notation for octadecyl [chloro(methoxy)phosphoryl]formate?
The canonical SMILES for octadecyl [chloro(methoxy)phosphoryl]formate is CCCCCCCCCCCCCCCCCCOC(=O)P(=O)(Cl)OC.
What is the InChIKey of octadecyl [chloro(methoxy)phosphoryl]formate?
The InChIKey is ZYQVDHHIOHSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40ClO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20(22)26(21,23)24-2/h3-19H2,1-2H3.
What are the key properties of octadecyl [chloro(methoxy)phosphoryl]formate?
octadecyl [chloro(methoxy)phosphoryl]formate has a molecular weight of 410.96 g/mol, XLogP of 8.46, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl [chloro(methoxy)phosphoryl]formate is sourced from PubChem (CID 10835420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).