1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene

C16H29O3P — CID 134934924

IUPAC1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene
SMILESCCCC/C(=C/P(=O)(OCC)OCC)C1=CCCCC1
InChIInChI=1S/C16H29O3P/c1-4-7-11-16(15-12-9-8-10-13-15)14-20(17,18-5-2)19-6-3/h12,14H,4-11,13H2,1-3H3/b16-14-
InChIKeyIAFZATFSMCZJMK-PEZBUJJGSA-N
MW300.38 g/mol
LogP5.83
Rot. Bonds9

About 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene

1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene (PubChem CID 134934924) has the molecular formula C16H29O3P and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene
PubChem CID134934924
Molecular FormulaC16H29O3P
Molecular Weight300.38 g/mol
Exact Mass300.19
IUPAC Name1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene
SMILESCCCC/C(=C/P(=O)(OCC)OCC)C1=CCCCC1
InChIInChI=1S/C16H29O3P/c1-4-7-11-16(15-12-9-8-10-13-15)14-20(17,18-5-2)19-6-3/h12,14H,4-11,13H2,1-3H3/b16-14-
InChIKeyIAFZATFSMCZJMK-PEZBUJJGSA-N
XLogP5.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
Diethyl (9z,12z)-octadeca-9,12-dien-1-ylphosphonate
CID 150186425
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
1-(Diethoxyphosphorylmethyl)-2-pentylcyclohexene
CID 134877807
1-(Diethoxyphosphorylmethyl)-2-methylcyclohexene
CID 134894958
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E)-1-diethoxyphosphoryl-2-methyloct-2-ene
CID 134895038
(E)-1,1-bis(diethoxyphosphoryl)-3-methyloct-2-ene
CID 134930081

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene?
The IUPAC name of 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene (CID 134934924) is 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene is CCCC/C(=C/P(=O)(OCC)OCC)C1=CCCCC1.
What is the InChIKey of 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene?
The InChIKey is IAFZATFSMCZJMK-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H29O3P/c1-4-7-11-16(15-12-9-8-10-13-15)14-20(17,18-5-2)19-6-3/h12,14H,4-11,13H2,1-3H3/b16-14-.
What are the key properties of 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene?
1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene has a molecular weight of 300.38 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene is sourced from PubChem (CID 134934924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).