1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol

C11H20O2 — CID 134862334

IUPAC1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol
SMILESC/C(=C\CC1(O)CCCCC1)CO
InChIInChI=1S/C11H20O2/c1-10(9-12)5-8-11(13)6-3-2-4-7-11/h5,12-13H,2-4,6-9H2,1H3/b10-5+
InChIKeyOVHNWSPUJBQDJJ-BJMVGYQFSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds3

About 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol

1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol (PubChem CID 134862334) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol
PubChem CID134862334
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol
SMILESC/C(=C\CC1(O)CCCCC1)CO
InChIInChI=1S/C11H20O2/c1-10(9-12)5-8-11(13)6-3-2-4-7-11/h5,12-13H,2-4,6-9H2,1H3/b10-5+
InChIKeyOVHNWSPUJBQDJJ-BJMVGYQFSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol (CID 134862334) is 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol is C/C(=C\CC1(O)CCCCC1)CO.
What is the InChIKey of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol?
The InChIKey is OVHNWSPUJBQDJJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(9-12)5-8-11(13)6-3-2-4-7-11/h5,12-13H,2-4,6-9H2,1H3/b10-5+.
What are the key properties of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol?
1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 134862334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).