(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

C13H22O — CID 6438195

IUPAC(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
SMILESCC1=CCC(C/C=C(\C)CO)C1(C)C
InChIInChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3/b10-5+
InChIKeyMTVBNJVZZAQKRV-BJMVGYQFSA-N
MW194.32 g/mol
LogP3.31
Rot. Bonds3

About (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol (PubChem CID 6438195) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
PubChem CID6438195
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
SMILESCC1=CCC(C/C=C(\C)CO)C1(C)C
InChIInChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3/b10-5+
InChIKeyMTVBNJVZZAQKRV-BJMVGYQFSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

alpha-IONOL
CID 5363817
alpha-CAMPHOLENOL
CID 61284
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
Ebanol
CID 6437266
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
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
(Z)-Lanceol
CID 15560069
[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
CID 70682365
(R,Z)-2-Methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol
CID 91710638
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)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol (CID 6438195) is (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol is CC1=CCC(C/C=C(\C)CO)C1(C)C.
What is the InChIKey of (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol?
The InChIKey is MTVBNJVZZAQKRV-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3/b10-5+.
What are the key properties of (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol?
(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol is sourced from PubChem (CID 6438195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).