6-methylcyclohept-2-en-4-yn-1-ol

C8H10O — CID 129019481

IUPAC6-methylcyclohept-2-en-4-yn-1-ol
SMILESCC1C#CC=CC(O)C1
InChIInChI=1S/C8H10O/c1-7-4-2-3-5-8(9)6-7/h3,5,7-9H,6H2,1H3
InChIKeyNEODNBWGJIDHGH-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.95
Rot. Bonds

About 6-methylcyclohept-2-en-4-yn-1-ol

6-methylcyclohept-2-en-4-yn-1-ol (PubChem CID 129019481) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-methylcyclohept-2-en-4-yn-1-ol.

Molecular Properties

Compound Name6-methylcyclohept-2-en-4-yn-1-ol
PubChem CID129019481
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name6-methylcyclohept-2-en-4-yn-1-ol
SMILESCC1C#CC=CC(O)C1
InChIInChI=1S/C8H10O/c1-7-4-2-3-5-8(9)6-7/h3,5,7-9H,6H2,1H3
InChIKeyNEODNBWGJIDHGH-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohept-2-en-4-yn-1-ol?
The IUPAC name of 6-methylcyclohept-2-en-4-yn-1-ol (CID 129019481) is 6-methylcyclohept-2-en-4-yn-1-ol.
What is the SMILES notation for 6-methylcyclohept-2-en-4-yn-1-ol?
The canonical SMILES for 6-methylcyclohept-2-en-4-yn-1-ol is CC1C#CC=CC(O)C1.
What is the InChIKey of 6-methylcyclohept-2-en-4-yn-1-ol?
The InChIKey is NEODNBWGJIDHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7-4-2-3-5-8(9)6-7/h3,5,7-9H,6H2,1H3.
What are the key properties of 6-methylcyclohept-2-en-4-yn-1-ol?
6-methylcyclohept-2-en-4-yn-1-ol has a molecular weight of 122.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohept-2-en-4-yn-1-ol is sourced from PubChem (CID 129019481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).