7-Methyloct-6-en-2-yn-1-ol

C9H14O — CID 10975562

IUPAC7-methyloct-6-en-2-yn-1-ol
SMILESCC(=CCCC#CCO)C
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,3,5,8H2,1-2H3
InChIKeyHILZQOYIYHKCFN-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.00
Rot. Bonds2

About 7-Methyloct-6-en-2-yn-1-ol

7-Methyloct-6-en-2-yn-1-ol (PubChem CID 10975562) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 7-methyloct-6-en-2-yn-1-ol.

Molecular Properties

Compound Name7-Methyloct-6-en-2-yn-1-ol
PubChem CID10975562
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name7-methyloct-6-en-2-yn-1-ol
SMILESCC(=CCCC#CCO)C
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,3,5,8H2,1-2H3
InChIKeyHILZQOYIYHKCFN-UHFFFAOYSA-N
XLogP2.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.00
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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Related Compounds

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol
CID 11063915
(e)-Oct-4-en-2-yn-1-ol
CID 12180844
(E)-7-methyloct-5-en-3-yn-1-ol
CID 21764639
(E)-4-methylhept-3-en-6-yn-1-ol
CID 10606736
(E)-hept-5-en-2-yn-1-ol
CID 10975435
4-(1-Cyclohexen-1-yl)-3-butyn-2-ol
CID 11040866
(6E)-7,11-dimethyl-6,10-dodecadien-2-yn-1-ol
CID 11830599
3-(Cyclohex-1-en-1-yl)prop-2-yn-1-ol
CID 12770182
(2E)-3-methyl-2-hepten-6-yn-1-ol
CID 10582784
(E)-non-4-en-2-yn-1-ol
CID 10898782
3-(Cyclopenten-1-yl)prop-2-yn-1-ol
CID 12244644
(Z)-5-methylhept-4-en-2-yn-1-ol
CID 12607739

Frequently Asked Questions

What is the IUPAC name of 7-Methyloct-6-en-2-yn-1-ol?
The IUPAC name of 7-Methyloct-6-en-2-yn-1-ol (CID 10975562) is 7-methyloct-6-en-2-yn-1-ol.
What is the SMILES notation for 7-Methyloct-6-en-2-yn-1-ol?
The canonical SMILES for 7-Methyloct-6-en-2-yn-1-ol is CC(=CCCC#CCO)C.
What is the InChIKey of 7-Methyloct-6-en-2-yn-1-ol?
The InChIKey is HILZQOYIYHKCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)7-5-3-4-6-8-10/h7,10H,3,5,8H2,1-2H3.
What are the key properties of 7-Methyloct-6-en-2-yn-1-ol?
7-Methyloct-6-en-2-yn-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.00, 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-2-yn-1-ol is sourced from PubChem (CID 10975562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).