(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol

C13H24O — CID 89387077

IUPAC(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol
SMILESCC/C(C)=C/C(O)C1CCCCC1C
InChIInChI=1S/C13H24O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h9,11-14H,4-8H2,1-3H3/b10-9+
InChIKeyOGNZQPCRBONTPY-MDZDMXLPSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds3

About (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol

(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol (PubChem CID 89387077) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol
PubChem CID89387077
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol
SMILESCC/C(C)=C/C(O)C1CCCCC1C
InChIInChI=1S/C13H24O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h9,11-14H,4-8H2,1-3H3/b10-9+
InChIKeyOGNZQPCRBONTPY-MDZDMXLPSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol?
The IUPAC name of (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol (CID 89387077) is (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol.
What is the SMILES notation for (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol?
The canonical SMILES for (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol is CC/C(C)=C/C(O)C1CCCCC1C.
What is the InChIKey of (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol?
The InChIKey is OGNZQPCRBONTPY-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H24O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h9,11-14H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol?
(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol is sourced from PubChem (CID 89387077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).