1-bis(hept-1-enyl)phosphorylhept-1-ene

C21H39OP — CID 150808635

IUPAC1-bis(hept-1-enyl)phosphorylhept-1-ene
SMILESCCCCCC=CP(=O)(C=CCCCCC)C=CCCCCC
InChIInChI=1S/C21H39OP/c1-4-7-10-13-16-19-23(22,20-17-14-11-8-5-2)21-18-15-12-9-6-3/h16-21H,4-15H2,1-3H3
InChIKeyKHKNQRWVZRTPMR-UHFFFAOYSA-N
MW338.52 g/mol
LogP8.63
Rot. Bonds15

About 1-bis(hept-1-enyl)phosphorylhept-1-ene

1-bis(hept-1-enyl)phosphorylhept-1-ene (PubChem CID 150808635) has the molecular formula C21H39OP and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-bis(hept-1-enyl)phosphorylhept-1-ene.

Molecular Properties

Compound Name1-bis(hept-1-enyl)phosphorylhept-1-ene
PubChem CID150808635
Molecular FormulaC21H39OP
Molecular Weight338.52 g/mol
Exact Mass338.27
IUPAC Name1-bis(hept-1-enyl)phosphorylhept-1-ene
SMILESCCCCCC=CP(=O)(C=CCCCCC)C=CCCCCC
InChIInChI=1S/C21H39OP/c1-4-7-10-13-16-19-23(22,20-17-14-11-8-5-2)21-18-15-12-9-6-3/h16-21H,4-15H2,1-3H3
InChIKeyKHKNQRWVZRTPMR-UHFFFAOYSA-N
XLogP8.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(E)-octadec-1-enyl]phosphonic acid
CID 21162971
dec-1-enylphosphonic acid
CID 54269963
(E)-1-dimethoxyphosphoryltetracont-1-ene
CID 21315282
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 1-bis(hept-1-enyl)phosphorylhept-1-ene?
The IUPAC name of 1-bis(hept-1-enyl)phosphorylhept-1-ene (CID 150808635) is 1-bis(hept-1-enyl)phosphorylhept-1-ene.
What is the SMILES notation for 1-bis(hept-1-enyl)phosphorylhept-1-ene?
The canonical SMILES for 1-bis(hept-1-enyl)phosphorylhept-1-ene is CCCCCC=CP(=O)(C=CCCCCC)C=CCCCCC.
What is the InChIKey of 1-bis(hept-1-enyl)phosphorylhept-1-ene?
The InChIKey is KHKNQRWVZRTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39OP/c1-4-7-10-13-16-19-23(22,20-17-14-11-8-5-2)21-18-15-12-9-6-3/h16-21H,4-15H2,1-3H3.
What are the key properties of 1-bis(hept-1-enyl)phosphorylhept-1-ene?
1-bis(hept-1-enyl)phosphorylhept-1-ene has a molecular weight of 338.52 g/mol, XLogP of 8.63, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(hept-1-enyl)phosphorylhept-1-ene is sourced from PubChem (CID 150808635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).