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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Related Compounds

(2S,4R)-p-Mentha-1(7),5-dien-2-ol
CID 5319361
1-(Cyclohex-2-en-1-yl)ethan-1-ol
CID 86534
cis-1(7),5-p-Menthadien-2-ol
CID 91753261
o-Mentha-1(7),8-dien-3-ol
CID 564552
2-Cyclohexene-1-methanol, 4-(1-methylethenyl)-
CID 9812820
3-(4-Methyl-3-cyclohexen-1-yl)-3-butenol
CID 85905
4-(Isopropyl)cyclohexadieneethanol
CID 11971200
5-(6-Methylhept-5-en-2-yl)-2-methylidenecyclohex-3-en-1-ol
CID 71444825
(1R,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalen-1-ol
CID 21575628
2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol
CID 71353159
(3aR,8R,8aS)-2,3,3a,5,6,7,8,8a,9,10-Decahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethyl)benz[f]azulen-8-ol
CID 9994180
3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI)
CID 11446451

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).