7-methyloct-1-yn-1-ol

C9H16O — CID 20565036

IUPAC7-methyloct-1-yn-1-ol
SMILESCC(C)CCCCC#CO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-5,7H2,1-2H3
InChIKeyJNKUMCOVNJBDTN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.54
Rot. Bonds4

About 7-methyloct-1-yn-1-ol

7-methyloct-1-yn-1-ol (PubChem CID 20565036) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 7-methyloct-1-yn-1-ol.

Molecular Properties

Compound Name7-methyloct-1-yn-1-ol
PubChem CID20565036
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name7-methyloct-1-yn-1-ol
SMILESCC(C)CCCCC#CO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-5,7H2,1-2H3
InChIKeyJNKUMCOVNJBDTN-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyloct-1-yn-1-ol?
The IUPAC name of 7-methyloct-1-yn-1-ol (CID 20565036) is 7-methyloct-1-yn-1-ol.
What is the SMILES notation for 7-methyloct-1-yn-1-ol?
The canonical SMILES for 7-methyloct-1-yn-1-ol is CC(C)CCCCC#CO.
What is the InChIKey of 7-methyloct-1-yn-1-ol?
The InChIKey is JNKUMCOVNJBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-5,7H2,1-2H3.
What are the key properties of 7-methyloct-1-yn-1-ol?
7-methyloct-1-yn-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-1-yn-1-ol is sourced from PubChem (CID 20565036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).