2-diethoxyphosphorylhex-1-enylidenecyclohexane

C16H29O3P — CID 25215350

IUPAC2-diethoxyphosphorylhex-1-enylidenecyclohexane
SMILESCCCCC(=C=C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C16H29O3P/c1-4-7-13-16(14-15-11-9-8-10-12-15)20(17,18-5-2)19-6-3/h4-13H2,1-3H3
InChIKeyIROUZTJCBDBNRB-UHFFFAOYSA-N
MW300.38 g/mol
LogP5.82
Rot. Bonds8

About 2-diethoxyphosphorylhex-1-enylidenecyclohexane

2-diethoxyphosphorylhex-1-enylidenecyclohexane (PubChem CID 25215350) has the molecular formula C16H29O3P and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-diethoxyphosphorylhex-1-enylidenecyclohexane.

Molecular Properties

Compound Name2-diethoxyphosphorylhex-1-enylidenecyclohexane
PubChem CID25215350
Molecular FormulaC16H29O3P
Molecular Weight300.38 g/mol
Exact Mass300.19
IUPAC Name2-diethoxyphosphorylhex-1-enylidenecyclohexane
SMILESCCCCC(=C=C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C16H29O3P/c1-4-7-13-16(14-15-11-9-8-10-12-15)20(17,18-5-2)19-6-3/h4-13H2,1-3H3
InChIKeyIROUZTJCBDBNRB-UHFFFAOYSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhex-1-enylidenecyclohexane?
The IUPAC name of 2-diethoxyphosphorylhex-1-enylidenecyclohexane (CID 25215350) is 2-diethoxyphosphorylhex-1-enylidenecyclohexane.
What is the SMILES notation for 2-diethoxyphosphorylhex-1-enylidenecyclohexane?
The canonical SMILES for 2-diethoxyphosphorylhex-1-enylidenecyclohexane is CCCCC(=C=C1CCCCC1)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhex-1-enylidenecyclohexane?
The InChIKey is IROUZTJCBDBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O3P/c1-4-7-13-16(14-15-11-9-8-10-12-15)20(17,18-5-2)19-6-3/h4-13H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylhex-1-enylidenecyclohexane?
2-diethoxyphosphorylhex-1-enylidenecyclohexane has a molecular weight of 300.38 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhex-1-enylidenecyclohexane is sourced from PubChem (CID 25215350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).