acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

C12H20O3 — CID 170839757

IUPACacetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(=C)[C@@H](O)C1.CC(=O)O
InChIInChI=1S/C10H16O.C2H4O2/c1-7(2)9-5-4-8(3)10(11)6-9;1-2(3)4/h9-11H,1,3-6H2,2H3;1H3,(H,3,4)/t9-,10+;/m1./s1
InChIKeyXCMZOGCRKHNUEC-UXQCFNEQSA-N
MW212.29 g/mol
LogP2.37
Rot. Bonds1

About acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 170839757) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nameacetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID170839757
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameacetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(=C)[C@@H](O)C1.CC(=O)O
InChIInChI=1S/C10H16O.C2H4O2/c1-7(2)9-5-4-8(3)10(11)6-9;1-2(3)4/h9-11H,1,3-6H2,2H3;1H3,(H,3,4)/t9-,10+;/m1./s1
InChIKeyXCMZOGCRKHNUEC-UXQCFNEQSA-N
XLogP2.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone
CID 15600203
(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
CID 162884446
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
CID 130741612
cis-(2S,4R)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 6431189
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
CID 102066424
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 162686808
cis-(1S,3R)-4-methylidenecyclohexane-1,3-diol
CID 101043296
[(1R,3R,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl] acetate
CID 11321770
2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
CID 12027036

Frequently Asked Questions

What is the IUPAC name of acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (CID 170839757) is acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CCC(=C)[C@@H](O)C1.CC(=O)O.
What is the InChIKey of acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is XCMZOGCRKHNUEC-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H16O.C2H4O2/c1-7(2)9-5-4-8(3)10(11)6-9;1-2(3)4/h9-11H,1,3-6H2,2H3;1H3,(H,3,4)/t9-,10+;/m1./s1.
What are the key properties of acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 170839757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).