2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol

C15H24O — CID 155738190

IUPAC2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol
SMILESC=C(C=C(CC)CO)C1CC=C(C)C1(C)C
InChIInChI=1S/C15H24O/c1-6-13(10-16)9-11(2)14-8-7-12(3)15(14,4)5/h7,9,14,16H,2,6,8,10H2,1,3-5H3
InChIKeySWLQOOIJYAXTIB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.86
Rot. Bonds4

About 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol

2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol (PubChem CID 155738190) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol
PubChem CID155738190
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol
SMILESC=C(C=C(CC)CO)C1CC=C(C)C1(C)C
InChIInChI=1S/C15H24O/c1-6-13(10-16)9-11(2)14-8-7-12(3)15(14,4)5/h7,9,14,16H,2,6,8,10H2,1,3-5H3
InChIKeySWLQOOIJYAXTIB-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
CID 57155773
(2E)-2-[2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylidene]pent-4-en-1-ol
CID 69264641
(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol
CID 69265102
(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
CID 21467054
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol
CID 54239830
1,5,5-trimethyl-4-(3-methylidenepentyl)cyclopentene
CID 57232854
2-methylsulfanyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal
CID 123516177
(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile
CID 67579668
(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene
CID 71052060
2,4-dimethyl-2-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-1-ol
CID 139797420
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-3-en-1-ol
CID 54569326
ethane;(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol;2,2,3-trimethyl-5-(3-methylcyclohexyl)bicyclo[2.2.1]heptane
CID 143299511

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol?
The IUPAC name of 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol (CID 155738190) is 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol.
What is the SMILES notation for 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol?
The canonical SMILES for 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol is C=C(C=C(CC)CO)C1CC=C(C)C1(C)C.
What is the InChIKey of 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol?
The InChIKey is SWLQOOIJYAXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-13(10-16)9-11(2)14-8-7-12(3)15(14,4)5/h7,9,14,16H,2,6,8,10H2,1,3-5H3.
What are the key properties of 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol?
2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)penta-2,4-dien-1-ol is sourced from PubChem (CID 155738190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).