2-diethoxyphosphorylhex-1-enylidenecyclopentane

C15H27O3P — CID 25215111

IUPAC2-diethoxyphosphorylhex-1-enylidenecyclopentane
SMILESCCCCC(=C=C1CCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C15H27O3P/c1-4-7-12-15(13-14-10-8-9-11-14)19(16,17-5-2)18-6-3/h4-12H2,1-3H3
InChIKeyVDVJFAPFHWGEAJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP5.43
Rot. Bonds8

About 2-diethoxyphosphorylhex-1-enylidenecyclopentane

2-diethoxyphosphorylhex-1-enylidenecyclopentane (PubChem CID 25215111) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-diethoxyphosphorylhex-1-enylidenecyclopentane.

Molecular Properties

Compound Name2-diethoxyphosphorylhex-1-enylidenecyclopentane
PubChem CID25215111
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name2-diethoxyphosphorylhex-1-enylidenecyclopentane
SMILESCCCCC(=C=C1CCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C15H27O3P/c1-4-7-12-15(13-14-10-8-9-11-14)19(16,17-5-2)18-6-3/h4-12H2,1-3H3
InChIKeyVDVJFAPFHWGEAJ-UHFFFAOYSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.43
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

(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
CID 25216260
Diethyl (1-cyclopentylidene-3-hydroxyprop-1-en-2-yl)phosphonate
CID 129752517
Copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
CID 134889895
Copper(1+);3-(diethoxyphosphorylmethylidene)heptane
CID 134890014
(2-Bromo-2-diethoxyphosphorylethenylidene)cyclopentane
CID 134894302
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
CID 101027985

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhex-1-enylidenecyclopentane?
The IUPAC name of 2-diethoxyphosphorylhex-1-enylidenecyclopentane (CID 25215111) is 2-diethoxyphosphorylhex-1-enylidenecyclopentane.
What is the SMILES notation for 2-diethoxyphosphorylhex-1-enylidenecyclopentane?
The canonical SMILES for 2-diethoxyphosphorylhex-1-enylidenecyclopentane is CCCCC(=C=C1CCCC1)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhex-1-enylidenecyclopentane?
The InChIKey is VDVJFAPFHWGEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O3P/c1-4-7-12-15(13-14-10-8-9-11-14)19(16,17-5-2)18-6-3/h4-12H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylhex-1-enylidenecyclopentane?
2-diethoxyphosphorylhex-1-enylidenecyclopentane has a molecular weight of 286.35 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhex-1-enylidenecyclopentane is sourced from PubChem (CID 25215111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).