1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene

C18H27O2P — CID 123660151

IUPAC1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene
SMILESO=P(OC1C=CCCC1)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C18H27O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h4,10,12,14,16H,1-3,5-9,11,13,15H2
InChIKeySTMFNJHPFMMTQO-UHFFFAOYSA-N
MW306.39 g/mol
LogP6.31
Rot. Bonds4

About 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene

1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene (PubChem CID 123660151) has the molecular formula C18H27O2P and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene.

Molecular Properties

Compound Name1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene
PubChem CID123660151
Molecular FormulaC18H27O2P
Molecular Weight306.39 g/mol
Exact Mass306.17
IUPAC Name1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene
SMILESO=P(OC1C=CCCC1)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C18H27O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h4,10,12,14,16H,1-3,5-9,11,13,15H2
InChIKeySTMFNJHPFMMTQO-UHFFFAOYSA-N
XLogP6.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
CID 123358674
[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
CID 129364890
5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
CID 129044340
cyclohex-2-en-1-yl hypoiodite
CID 154559496
2-cyclohex-2-en-1-yloxycyclohexen-1-ol
CID 19975216
3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene
CID 15108738
2-cyclohex-2-en-1-ylcyclohex-2-en-1-one
CID 101209775
(1Z)-3-hydroperoxycyclodecene
CID 10397221
3-(1-dimethoxyphosphorylethenoxy)cyclohexene
CID 15108739
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohexen-1-yl(ethyl)phosphinic acid
CID 23418944

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene?
The IUPAC name of 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene (CID 123660151) is 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene.
What is the SMILES notation for 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene?
The canonical SMILES for 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene is O=P(OC1C=CCCC1)(C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene?
The InChIKey is STMFNJHPFMMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h4,10,12,14,16H,1-3,5-9,11,13,15H2.
What are the key properties of 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene?
1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene has a molecular weight of 306.39 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene is sourced from PubChem (CID 123660151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).