(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol

C13H22O — CID 146539254

IUPAC(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol
SMILESCCC(O)/C(C)=C/[C@@H]1CCC=C(C)C1
InChIInChI=1S/C13H22O/c1-4-13(14)11(3)9-12-7-5-6-10(2)8-12/h6,9,12-14H,4-5,7-8H2,1-3H3/b11-9+/t12-,13?/m1/s1
InChIKeyYJMDOVJNGQXLLD-WFYNIWGOSA-N
MW194.32 g/mol
LogP3.45
Rot. Bonds3

About (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol

(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol (PubChem CID 146539254) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol
PubChem CID146539254
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol
SMILESCCC(O)/C(C)=C/[C@@H]1CCC=C(C)C1
InChIInChI=1S/C13H22O/c1-4-13(14)11(3)9-12-7-5-6-10(2)8-12/h6,9,12-14H,4-5,7-8H2,1-3H3/b11-9+/t12-,13?/m1/s1
InChIKeyYJMDOVJNGQXLLD-WFYNIWGOSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol with MolForge

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Related Compounds

(E)-2-methyl-3-(3-methylcyclohex-3-en-1-yl)prop-2-enal
CID 91998695
1,5-dimethylcyclohexene
CID 520362
1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol
CID 70520367
(1R)-3-methylcyclohex-3-en-1-ol
CID 144556307
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
CID 23092826
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
CID 6437265
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 59720725
5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
CID 143250465
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol?
The IUPAC name of (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol (CID 146539254) is (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol.
What is the SMILES notation for (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol?
The canonical SMILES for (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol is CCC(O)/C(C)=C/[C@@H]1CCC=C(C)C1.
What is the InChIKey of (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol?
The InChIKey is YJMDOVJNGQXLLD-WFYNIWGOSA-N. The full InChI is InChI=1S/C13H22O/c1-4-13(14)11(3)9-12-7-5-6-10(2)8-12/h6,9,12-14H,4-5,7-8H2,1-3H3/b11-9+/t12-,13?/m1/s1.
What are the key properties of (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol?
(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol has a molecular weight of 194.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol is sourced from PubChem (CID 146539254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).