3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol

C10H18O — CID 134991836

IUPAC3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
SMILESC[C@@H]1C=C[C@H](CCCO)CC1
InChIInChI=1S/C10H18O/c1-9-4-6-10(7-5-9)3-2-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyMTGFSBGEQMNVBN-ZJUUUORDSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds3

About 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol

3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol (PubChem CID 134991836) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
PubChem CID134991836
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
SMILESC[C@@H]1C=C[C@H](CCCO)CC1
InChIInChI=1S/C10H18O/c1-9-4-6-10(7-5-9)3-2-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyMTGFSBGEQMNVBN-ZJUUUORDSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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

[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
CID 97050185
(4-methylcyclohex-2-en-1-yl)methanesulfinic acid
CID 163788390
3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol
CID 140850603
4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol
CID 89149867
4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
CID 143238683
[(2Z,6Z)-4-methylcyclonona-2,6-dien-1-yl]methanol
CID 11126645
(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
CID 134980760
(4-trimethylsilylcyclohex-2-en-1-yl)methanol
CID 14961483
4-methylcyclohex-2-ene-1-thiol
CID 154356464
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol
CID 13152523
3-(4,5-dimethylhex-5-enyl)cyclohexene
CID 142893691

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol?
The IUPAC name of 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol (CID 134991836) is 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol is C[C@@H]1C=C[C@H](CCCO)CC1.
What is the InChIKey of 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol?
The InChIKey is MTGFSBGEQMNVBN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O/c1-9-4-6-10(7-5-9)3-2-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol?
3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 134991836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).