(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol

C9H15OP — CID 131966555

IUPAC(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
SMILESC=C1CC[C@H](O)C/C1=C/CP
InChIInChI=1S/C9H15OP/c1-7-2-3-9(10)6-8(7)4-5-11/h4,9-10H,1-3,5-6,11H2/b8-4-/t9-/m0/s1
InChIKeySAQMHSVJJACSIB-OTOXVQDCSA-N
MW170.19 g/mol
LogP1.89
Rot. Bonds1

About (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol

(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol (PubChem CID 131966555) has the molecular formula C9H15OP and a molecular weight of 170.19 g/mol. Its IUPAC name is (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
PubChem CID131966555
Molecular FormulaC9H15OP
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
SMILESC=C1CC[C@H](O)C/C1=C/CP
InChIInChI=1S/C9H15OP/c1-7-2-3-9(10)6-8(7)4-5-11/h4,9-10H,1-3,5-6,11H2/b8-4-/t9-/m0/s1
InChIKeySAQMHSVJJACSIB-OTOXVQDCSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3Z)-4-methylidene-3-propylidenecyclohexan-1-ol
CID 88974948
(3Z)-4-methylidene-3-prop-2-enylidenecyclohexan-1-ol
CID 59883732
(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
CID 88564570
(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol
CID 171377836
[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethyl]phosphane
CID 143208881
(1S,3Z)-3-[(2E)-2-[(2R,3R)-2-butyl-3-methylcyclohexylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 88972295
(1S)-1-[(1S,3aS,4E,6R,7aS)-6-hydroxy-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethane-1,2-diol
CID 87308455
1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxyethanone
CID 87827674
(1S,3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-4-methylidenecyclohexan-1-ol
CID 142026083
(3S,3aS,5S,7aS)-3-[(1S)-1-hydroxyethyl]-7-[2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
CID 123295497
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 6443542
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 6443891

Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol?
The IUPAC name of (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol (CID 131966555) is (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol.
What is the SMILES notation for (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol?
The canonical SMILES for (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol is C=C1CC[C@H](O)C/C1=C/CP.
What is the InChIKey of (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol?
The InChIKey is SAQMHSVJJACSIB-OTOXVQDCSA-N. The full InChI is InChI=1S/C9H15OP/c1-7-2-3-9(10)6-8(7)4-5-11/h4,9-10H,1-3,5-6,11H2/b8-4-/t9-/m0/s1.
What are the key properties of (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol?
(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol has a molecular weight of 170.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol is sourced from PubChem (CID 131966555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).