(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol

C15H26O — CID 6437265

IUPAC(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
SMILESCCC(O)/C(C)=C/CC1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-8,13-14,16H,6,9-10H2,1-5H3/b11-7+
InChIKeyZLXFAZWQPGECHI-YRNVUSSQSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol

(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol (PubChem CID 6437265) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
PubChem CID6437265
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
SMILESCCC(O)/C(C)=C/CC1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-8,13-14,16H,6,9-10H2,1-5H3/b11-7+
InChIKeyZLXFAZWQPGECHI-YRNVUSSQSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
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-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol?
The IUPAC name of (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol (CID 6437265) is (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol.
What is the SMILES notation for (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol?
The canonical SMILES for (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol is CCC(O)/C(C)=C/CC1CC=C(C)C1(C)C.
What is the InChIKey of (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol?
The InChIKey is ZLXFAZWQPGECHI-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-8,13-14,16H,6,9-10H2,1-5H3/b11-7+.
What are the key properties of (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol?
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol is sourced from PubChem (CID 6437265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).