1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol

C11H20O — CID 15445552

IUPAC1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol
SMILESCC(C)/C=C/C1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-10(2)6-9-11(12)7-4-3-5-8-11/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyWKLKEFBQTXNQHC-RMKNXTFCSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol

1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol (PubChem CID 15445552) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol
PubChem CID15445552
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol
SMILESCC(C)/C=C/C1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-10(2)6-9-11(12)7-4-3-5-8-11/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyWKLKEFBQTXNQHC-RMKNXTFCSA-N
XLogP2.89
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 ≤ 52.89
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

1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol
CID 23339585
1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
CID 77114651
1-[(1S)-1-aminoethyl]cyclohexan-1-ol
CID 92975390
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
1-[(E)-dodec-1-enyl]cyclohexan-1-ol
CID 14571858
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
1-(1-amino-2-methylpropyl)cyclopentan-1-ol
CID 18373867
1-(1-amino-3-methylbutyl)cycloheptan-1-ol
CID 18373812
1-[2-(propan-2-ylamino)ethyl]cyclohexan-1-ol
CID 15889475
1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol
CID 171483623

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol (CID 15445552) is 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol is CC(C)/C=C/C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol?
The InChIKey is WKLKEFBQTXNQHC-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)6-9-11(12)7-4-3-5-8-11/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol?
1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 15445552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).