(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol

C10H18O2 — CID 11446580

IUPAC(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol
SMILESC=C(CO)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-12H,2-6H2,1H3/t7-,9+,10+/m1/s1
InChIKeyIIGYJFDUYITWFW-JEZHCXPESA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol

(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 11446580) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol
PubChem CID11446580
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol
SMILESC=C(CO)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-12H,2-6H2,1H3/t7-,9+,10+/m1/s1
InChIKeyIIGYJFDUYITWFW-JEZHCXPESA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
ethane;trans-(1R,2S)-2-(3-hydroxyprop-1-en-2-yl)cycloheptan-1-ol
CID 90793138
cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol
CID 15355962
1-[(1R,2S,4R)-2-hydroxy-4-methylcyclohexyl]ethanone
CID 59752307
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol (CID 11446580) is (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol is C=C(CO)[C@@H]1CC[C@@H](C)C[C@@H]1O.
What is the InChIKey of (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is IIGYJFDUYITWFW-JEZHCXPESA-N. The full InChI is InChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-12H,2-6H2,1H3/t7-,9+,10+/m1/s1.
What are the key properties of (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11446580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).