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

C15H26O — CID 6365762

IUPAC(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol
SMILESCCC/C(=C\CC1CC=C(C)C1(C)C)CO
InChIInChI=1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3/b13-8+
InChIKeyMDLCAUNJOHZXEZ-MDWZMJQESA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds5

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

(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol (PubChem CID 6365762) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol.

Molecular Properties

Compound Name(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol
PubChem CID6365762
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol
SMILESCCC/C(=C\CC1CC=C(C)C1(C)C)CO
InChIInChI=1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3/b13-8+
InChIKeyMDLCAUNJOHZXEZ-MDWZMJQESA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol?
The IUPAC name of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol (CID 6365762) is (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol.
What is the SMILES notation for (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol?
The canonical SMILES for (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol is CCC/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]pentan-1-ol?
The InChIKey is MDLCAUNJOHZXEZ-MDWZMJQESA-N. The full InChI is InChI=1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3/b13-8+.
What are the key properties of (2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol?
(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 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]pentan-1-ol is sourced from PubChem (CID 6365762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).