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

C12H22O3 — CID 170851422

IUPACacetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(=O)O
InChIInChI=1S/C10H18O.C2H4O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2(3)4/h8-11H,1,4-6H2,2-3H3;1H3,(H,3,4)/t8-,9+,10-;/m1./s1
InChIKeyKSBCYNFFCICVSC-YMQJAAJZSA-N
MW214.30 g/mol
LogP2.45
Rot. Bonds1

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

acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 170851422) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nameacetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID170851422
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameacetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(=O)O
InChIInChI=1S/C10H18O.C2H4O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2(3)4/h8-11H,1,4-6H2,2-3H3;1H3,(H,3,4)/t8-,9+,10-;/m1./s1
InChIKeyKSBCYNFFCICVSC-YMQJAAJZSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 170851422) is acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(=O)O.
What is the InChIKey of acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is KSBCYNFFCICVSC-YMQJAAJZSA-N. The full InChI is InChI=1S/C10H18O.C2H4O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2(3)4/h8-11H,1,4-6H2,2-3H3;1H3,(H,3,4)/t8-,9+,10-;/m1./s1.
What are the key properties of acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 170851422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).