7-methyloct-6-en-3-yn-1-ol

C9H14O — CID 130128735

IUPAC7-methyloct-6-en-3-yn-1-ol
SMILESCC(C)=CCC#CCCO
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,5-6,8H2,1-2H3
InChIKeySJPXFUFWOMSITA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds2

About 7-methyloct-6-en-3-yn-1-ol

7-methyloct-6-en-3-yn-1-ol (PubChem CID 130128735) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 7-methyloct-6-en-3-yn-1-ol.

Molecular Properties

Compound Name7-methyloct-6-en-3-yn-1-ol
PubChem CID130128735
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name7-methyloct-6-en-3-yn-1-ol
SMILESCC(C)=CCC#CCCO
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,5-6,8H2,1-2H3
InChIKeySJPXFUFWOMSITA-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 7-methyloct-6-en-3-yn-1-ol?
The IUPAC name of 7-methyloct-6-en-3-yn-1-ol (CID 130128735) is 7-methyloct-6-en-3-yn-1-ol.
What is the SMILES notation for 7-methyloct-6-en-3-yn-1-ol?
The canonical SMILES for 7-methyloct-6-en-3-yn-1-ol is CC(C)=CCC#CCCO.
What is the InChIKey of 7-methyloct-6-en-3-yn-1-ol?
The InChIKey is SJPXFUFWOMSITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,5-6,8H2,1-2H3.
What are the key properties of 7-methyloct-6-en-3-yn-1-ol?
7-methyloct-6-en-3-yn-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-6-en-3-yn-1-ol is sourced from PubChem (CID 130128735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).