(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol

C14H24O — CID 6437460

IUPAC(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol
SMILESCC1=CCC(C/C=C(\C)C(C)O)C1(C)C
InChIInChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b10-6+
InChIKeySYSAACBNNCUINP-UXBLZVDNSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds3

About (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol

(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol (PubChem CID 6437460) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol
PubChem CID6437460
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol
SMILESCC1=CCC(C/C=C(\C)C(C)O)C1(C)C
InChIInChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b10-6+
InChIKeySYSAACBNNCUINP-UXBLZVDNSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

alpha-IONOL
CID 5363817
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
Ebanol
CID 6437266
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
8-Hydroxy-alpha-humulene
CID 12445034
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103
2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 119897
Umbellulol
CID 561871
3-Penten-2-ol, 1-bromo-5-(2,2-dimethyl-6-methylene-3-cyclohexen-1-yl)-3-methyl-
CID 6393559
4-Hexen-3-ol, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 106807

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol?
The IUPAC name of (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol (CID 6437460) is (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol is CC1=CCC(C/C=C(\C)C(C)O)C1(C)C.
What is the InChIKey of (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol?
The InChIKey is SYSAACBNNCUINP-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b10-6+.
What are the key properties of (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol?
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol is sourced from PubChem (CID 6437460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).