(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol

C9H15O2P — CID 88564570

IUPAC(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
SMILESC=C1/C(=C\CP)CC(O)CC1O
InChIInChI=1S/C9H15O2P/c1-6-7(2-3-12)4-8(10)5-9(6)11/h2,8-11H,1,3-5,12H2/b7-2-
InChIKeyHMHROBXTLHJOOZ-UQCOIBPSSA-N
MW186.19 g/mol
LogP0.86
Rot. Bonds1

About (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol

(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol (PubChem CID 88564570) has the molecular formula C9H15O2P and a molecular weight of 186.19 g/mol. Its IUPAC name is (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol.

Molecular Properties

Compound Name(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
PubChem CID88564570
Molecular FormulaC9H15O2P
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
SMILESC=C1/C(=C\CP)CC(O)CC1O
InChIInChI=1S/C9H15O2P/c1-6-7(2-3-12)4-8(10)5-9(6)11/h2,8-11H,1,3-5,12H2/b7-2-
InChIKeyHMHROBXTLHJOOZ-UQCOIBPSSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
CID 59883743
(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
CID 131966555
(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
CID 21343832
(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
CID 89090716
[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethyl]phosphane
CID 143208881
trans-(1R,3S)-5-[2-[(1S,3aS,7aS)-1-(1,1-dihydroxyethyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 56626217
(5E)-5-[(2Z)-2-[(1S,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 59966631
(1R,3Z)-4-methylidene-3-propylidenecyclohexan-1-ol
CID 88974948
trans-(1R,3S,5Z)-5-[(2E)-2-[1-(3,4,5,5,6,6-hexamethylheptan-2-yl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 59925759
cis-(1S,3R)-4-methylidenecyclohexane-1,3-diol
CID 101043296
2-[(3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]acetaldehyde
CID 89191868
trans-(1R,3S)-5-[2-[(1S,3aS,7aS)-1-[(2S)-2-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 87308894

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol?
The IUPAC name of (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol (CID 88564570) is (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol.
What is the SMILES notation for (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol?
The canonical SMILES for (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol is C=C1/C(=C\CP)CC(O)CC1O.
What is the InChIKey of (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol?
The InChIKey is HMHROBXTLHJOOZ-UQCOIBPSSA-N. The full InChI is InChI=1S/C9H15O2P/c1-6-7(2-3-12)4-8(10)5-9(6)11/h2,8-11H,1,3-5,12H2/b7-2-.
What are the key properties of (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol?
(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol has a molecular weight of 186.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol is sourced from PubChem (CID 88564570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).