(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol

C13H24O — CID 130130703

IUPAC(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
SMILESC=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C13H24O/c1-5-8-13(3,4)11-7-6-10(2)9-12(11)14/h5,10-12,14H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyQWOBMGYAZPJWMG-IJLUTSLNSA-N
MW196.33 g/mol
LogP3.39
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol (PubChem CID 130130703) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
PubChem CID130130703
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
SMILESC=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C13H24O/c1-5-8-13(3,4)11-7-6-10(2)9-12(11)14/h5,10-12,14H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyQWOBMGYAZPJWMG-IJLUTSLNSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
2-(1-ethoxy-2-methylpropan-2-yl)-5-methylcyclohexan-1-ol
CID 79570834
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]-2-methylpropanenitrile
CID 130129826
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 64767313
2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 65490567

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol (CID 130130703) is (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol is C=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol?
The InChIKey is QWOBMGYAZPJWMG-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-13(3,4)11-7-6-10(2)9-12(11)14/h5,10-12,14H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 130130703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).