2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol

C14H22O — CID 162405542

IUPAC2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol
SMILESCC#CCCCC(C)(C)C1=CCCC1O
InChIInChI=1S/C14H22O/c1-4-5-6-7-11-14(2,3)12-9-8-10-13(12)15/h9,13,15H,6-8,10-11H2,1-3H3
InChIKeyYNZYFSDPDBKEQO-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol

2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol (PubChem CID 162405542) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol
PubChem CID162405542
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol
SMILESCC#CCCCC(C)(C)C1=CCCC1O
InChIInChI=1S/C14H22O/c1-4-5-6-7-11-14(2,3)12-9-8-10-13(12)15/h9,13,15H,6-8,10-11H2,1-3H3
InChIKeyYNZYFSDPDBKEQO-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol?
The IUPAC name of 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol (CID 162405542) is 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol is CC#CCCCC(C)(C)C1=CCCC1O.
What is the InChIKey of 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol?
The InChIKey is YNZYFSDPDBKEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-6-7-11-14(2,3)12-9-8-10-13(12)15/h9,13,15H,6-8,10-11H2,1-3H3.
What are the key properties of 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol?
2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloct-6-yn-2-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 162405542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).