2-but-1-en-2-yl-5-methylcyclohexan-1-ol

C11H20O — CID 85263712

IUPAC2-but-1-en-2-yl-5-methylcyclohexan-1-ol
SMILESC=C(CC)C1CCC(C)CC1O
InChIInChI=1S/C11H20O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h8,10-12H,3-7H2,1-2H3
InChIKeySGKASMFEMBXOEP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds2

About 2-but-1-en-2-yl-5-methylcyclohexan-1-ol

2-but-1-en-2-yl-5-methylcyclohexan-1-ol (PubChem CID 85263712) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-but-1-en-2-yl-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-but-1-en-2-yl-5-methylcyclohexan-1-ol
PubChem CID85263712
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-but-1-en-2-yl-5-methylcyclohexan-1-ol
SMILESC=C(CC)C1CCC(C)CC1O
InChIInChI=1S/C11H20O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h8,10-12H,3-7H2,1-2H3
InChIKeySGKASMFEMBXOEP-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol
CID 11446580
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-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
(13R)-17-but-1-en-2-yl-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 155751511
5-but-1-en-2-yl-2-methylcyclohexan-1-ol
CID 176942654
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
3-methylbutanoic acid;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 53471029
1-[(1R,2S,4R)-2-hydroxy-4-methylcyclohexyl]ethanone
CID 59752307
hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 70304538
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-5-methylcyclohexan-1-ol?
The IUPAC name of 2-but-1-en-2-yl-5-methylcyclohexan-1-ol (CID 85263712) is 2-but-1-en-2-yl-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-but-1-en-2-yl-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-but-1-en-2-yl-5-methylcyclohexan-1-ol is C=C(CC)C1CCC(C)CC1O.
What is the InChIKey of 2-but-1-en-2-yl-5-methylcyclohexan-1-ol?
The InChIKey is SGKASMFEMBXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 2-but-1-en-2-yl-5-methylcyclohexan-1-ol?
2-but-1-en-2-yl-5-methylcyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-5-methylcyclohexan-1-ol is sourced from PubChem (CID 85263712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).