(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol

C15H24O — CID 69265102

IUPAC(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol
SMILESC=CC/C(=C\CC1CC=C(C)C1(C)C)CO
InChIInChI=1S/C15H24O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h5,7-8,14,16H,1,6,9-11H2,2-4H3/b13-8+
InChIKeyCMRTVUMGZZOBQK-MDWZMJQESA-N
MW220.36 g/mol
LogP3.86
Rot. Bonds5

About (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol

(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol (PubChem CID 69265102) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol.

Molecular Properties

Compound Name(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol
PubChem CID69265102
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol
SMILESC=CC/C(=C\CC1CC=C(C)C1(C)C)CO
InChIInChI=1S/C15H24O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h5,7-8,14,16H,1,6,9-11H2,2-4H3/b13-8+
InChIKeyCMRTVUMGZZOBQK-MDWZMJQESA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol?
The IUPAC name of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol (CID 69265102) is (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol.
What is the SMILES notation for (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol?
The canonical SMILES for (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol is C=CC/C(=C\CC1CC=C(C)C1(C)C)CO.
What is the InChIKey of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol?
The InChIKey is CMRTVUMGZZOBQK-MDWZMJQESA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h5,7-8,14,16H,1,6,9-11H2,2-4H3/b13-8+.
What are the key properties of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol?
(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol is sourced from PubChem (CID 69265102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).