(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol

C10H14O2 — CID 59883743

IUPAC(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
SMILESC=C/C=C1/CC(O)CC(O)C1=C
InChIInChI=1S/C10H14O2/c1-3-4-8-5-9(11)6-10(12)7(8)2/h3-4,9-12H,1-2,5-6H2/b8-4-
InChIKeyITISOZQEKJQOQF-YWEYNIOJSA-N
MW166.22 g/mol
LogP1.17
Rot. Bonds1

About (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol

(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol (PubChem CID 59883743) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Name(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
PubChem CID59883743
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
SMILESC=C/C=C1/CC(O)CC(O)C1=C
InChIInChI=1S/C10H14O2/c1-3-4-8-5-9(11)6-10(12)7(8)2/h3-4,9-12H,1-2,5-6H2/b8-4-
InChIKeyITISOZQEKJQOQF-YWEYNIOJSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
CID 21343832
(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
CID 88564570
(3Z)-4-methylidene-3-prop-2-enylidenecyclohexan-1-ol
CID 59883732
(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
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
trans-(1S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 171318196
trans-(1R,3S,5Z)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 156599249
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,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 11668478
trans-(1R,3S)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 135391135
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 92852870
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-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 87775809

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol?
The IUPAC name of (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol (CID 59883743) is (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol.
What is the SMILES notation for (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol?
The canonical SMILES for (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol is C=C/C=C1/CC(O)CC(O)C1=C.
What is the InChIKey of (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol?
The InChIKey is ITISOZQEKJQOQF-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-5-9(11)6-10(12)7(8)2/h3-4,9-12H,1-2,5-6H2/b8-4-.
What are the key properties of (5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol?
(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol has a molecular weight of 166.22 g/mol, XLogP of 1.17, 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-prop-2-enylidenecyclohexane-1,3-diol is sourced from PubChem (CID 59883743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).