1-(1-dimethoxyphosphorylethenyl)cyclohexene

C10H17O3P — CID 10998429

IUPAC1-(1-dimethoxyphosphorylethenyl)cyclohexene
SMILESC=C(C1=CCCCC1)P(=O)(OC)OC
InChIInChI=1S/C10H17O3P/c1-9(14(11,12-2)13-3)10-7-5-4-6-8-10/h7H,1,4-6,8H2,2-3H3
InChIKeyODKWFWCPBGEOLJ-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.49
Rot. Bonds4

About 1-(1-dimethoxyphosphorylethenyl)cyclohexene

1-(1-dimethoxyphosphorylethenyl)cyclohexene (PubChem CID 10998429) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-(1-dimethoxyphosphorylethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-dimethoxyphosphorylethenyl)cyclohexene
PubChem CID10998429
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name1-(1-dimethoxyphosphorylethenyl)cyclohexene
SMILESC=C(C1=CCCCC1)P(=O)(OC)OC
InChIInChI=1S/C10H17O3P/c1-9(14(11,12-2)13-3)10-7-5-4-6-8-10/h7H,1,4-6,8H2,2-3H3
InChIKeyODKWFWCPBGEOLJ-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.49
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

(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene
CID 134934924
1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene
CID 134996636
4,4-Bis(diethoxyphosphoryl)-1-methylcyclohexene
CID 11100686
(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
CID 11186158
(E,7E)-7-(diethoxyphosphorylmethylidene)dodec-5-ene
CID 102017535
(E,8E)-8-(diethoxyphosphorylmethylidene)tridec-6-ene
CID 102017536
(2E,4E,6E)-1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,4,6,10-tetraene
CID 9861568
1-[(E)-2-diethoxyphosphoryl-vinyl]-cyclohexene
CID 11356967
1-Dimethoxyphosphorylcyclohexene
CID 12589507

Frequently Asked Questions

What is the IUPAC name of 1-(1-dimethoxyphosphorylethenyl)cyclohexene?
The IUPAC name of 1-(1-dimethoxyphosphorylethenyl)cyclohexene (CID 10998429) is 1-(1-dimethoxyphosphorylethenyl)cyclohexene.
What is the SMILES notation for 1-(1-dimethoxyphosphorylethenyl)cyclohexene?
The canonical SMILES for 1-(1-dimethoxyphosphorylethenyl)cyclohexene is C=C(C1=CCCCC1)P(=O)(OC)OC.
What is the InChIKey of 1-(1-dimethoxyphosphorylethenyl)cyclohexene?
The InChIKey is ODKWFWCPBGEOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3P/c1-9(14(11,12-2)13-3)10-7-5-4-6-8-10/h7H,1,4-6,8H2,2-3H3.
What are the key properties of 1-(1-dimethoxyphosphorylethenyl)cyclohexene?
1-(1-dimethoxyphosphorylethenyl)cyclohexene has a molecular weight of 216.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dimethoxyphosphorylethenyl)cyclohexene is sourced from PubChem (CID 10998429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).