cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol

C13H24O2 — CID 10560513

IUPACcis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol
SMILESC/C=C/[C@]1(O)CCCC[C@@H]1[C@@H](O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,8,10-12,14-15H,5-7,9H2,1-3H3/b8-4+/t11-,12+,13+/m1/s1
InChIKeyPWXIWHUJSXIBEX-HZPCZANWSA-N
MW212.33 g/mol
LogP2.50
Rot. Bonds3

About cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol

cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol (PubChem CID 10560513) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol
PubChem CID10560513
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol
SMILESC/C=C/[C@]1(O)CCCC[C@@H]1[C@@H](O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,8,10-12,14-15H,5-7,9H2,1-3H3/b8-4+/t11-,12+,13+/m1/s1
InChIKeyPWXIWHUJSXIBEX-HZPCZANWSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.50
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 cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol (CID 10560513) is cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol is C/C=C/[C@]1(O)CCCC[C@@H]1[C@@H](O)C(C)C.
What is the InChIKey of cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol?
The InChIKey is PWXIWHUJSXIBEX-HZPCZANWSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,8,10-12,14-15H,5-7,9H2,1-3H3/b8-4+/t11-,12+,13+/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol?
cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(1S)-1-hydroxy-2-methylpropyl]-1-[(E)-prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 10560513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).