(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol

C13H24O — CID 11401335

IUPAC(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-5-8-13(14)9-11(4)6-7-12(13)10(2)3/h5,10-12,14H,1,6-9H2,2-4H3/t11-,12+,13+/m1/s1
InChIKeyQQVOMZLQLNCNKY-AGIUHOORSA-N
MW196.33 g/mol
LogP3.39
Rot. Bonds3

About (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol

(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol (PubChem CID 11401335) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
PubChem CID11401335
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-5-8-13(14)9-11(4)6-7-12(13)10(2)3/h5,10-12,14H,1,6-9H2,2-4H3/t11-,12+,13+/m1/s1
InChIKeyQQVOMZLQLNCNKY-AGIUHOORSA-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'}

Analyze (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol with MolForge

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Related Compounds

1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 62772775
cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101266253
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol
CID 142319676
5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65142694
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 65316567
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol (CID 11401335) is (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol is C=CC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is QQVOMZLQLNCNKY-AGIUHOORSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-13(14)9-11(4)6-7-12(13)10(2)3/h5,10-12,14H,1,6-9H2,2-4H3/t11-,12+,13+/m1/s1.
What are the key properties of (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol?
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-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 (1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 11401335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).