cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol

C11H18O — CID 101161499

IUPACcis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol
SMILESC=C(C)/C=C/[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H18O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h7-8,10-12H,1,3-6H2,2H3/b8-7+/t10-,11+/m0/s1
InChIKeyIKRCLFLRRRJRMJ-IAYMVZNDSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

About cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol

cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol (PubChem CID 101161499) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol
PubChem CID101161499
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namecis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol
SMILESC=C(C)/C=C/[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H18O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h7-8,10-12H,1,3-6H2,2H3/b8-7+/t10-,11+/m0/s1
InChIKeyIKRCLFLRRRJRMJ-IAYMVZNDSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol (CID 101161499) is cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol is C=C(C)/C=C/[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol?
The InChIKey is IKRCLFLRRRJRMJ-IAYMVZNDSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h7-8,10-12H,1,3-6H2,2H3/b8-7+/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol is sourced from PubChem (CID 101161499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).