(E)-4-cyclohexyl-2-methylbut-2-en-1-ol

C11H20O — CID 67844934

IUPAC(E)-4-cyclohexyl-2-methylbut-2-en-1-ol
SMILESC/C(=C\CC1CCCCC1)CO
InChIInChI=1S/C11H20O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h7,11-12H,2-6,8-9H2,1H3/b10-7+
InChIKeyGCVTYLINEFNJSA-JXMROGBWSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds3

About (E)-4-cyclohexyl-2-methylbut-2-en-1-ol

(E)-4-cyclohexyl-2-methylbut-2-en-1-ol (PubChem CID 67844934) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-4-cyclohexyl-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-cyclohexyl-2-methylbut-2-en-1-ol
PubChem CID67844934
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-4-cyclohexyl-2-methylbut-2-en-1-ol
SMILESC/C(=C\CC1CCCCC1)CO
InChIInChI=1S/C11H20O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h7,11-12H,2-6,8-9H2,1H3/b10-7+
InChIKeyGCVTYLINEFNJSA-JXMROGBWSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-4-cyclohexyl-2-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-cyclohexyl-2-methylbut-2-en-1-ol (CID 67844934) is (E)-4-cyclohexyl-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-cyclohexyl-2-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-cyclohexyl-2-methylbut-2-en-1-ol is C/C(=C\CC1CCCCC1)CO.
What is the InChIKey of (E)-4-cyclohexyl-2-methylbut-2-en-1-ol?
The InChIKey is GCVTYLINEFNJSA-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h7,11-12H,2-6,8-9H2,1H3/b10-7+.
What are the key properties of (E)-4-cyclohexyl-2-methylbut-2-en-1-ol?
(E)-4-cyclohexyl-2-methylbut-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexyl-2-methylbut-2-en-1-ol is sourced from PubChem (CID 67844934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).