6-methylhept-5-en-1-yn-4-ol

C8H12O — CID 15892923

IUPAC6-methylhept-5-en-1-yn-4-ol
SMILESC#CCC(O)C=C(C)C
InChIInChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h1,6,8-9H,5H2,2-3H3
InChIKeyGBTJKQDIAHVSRY-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds2

About 6-methylhept-5-en-1-yn-4-ol

6-methylhept-5-en-1-yn-4-ol (PubChem CID 15892923) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 6-methylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name6-methylhept-5-en-1-yn-4-ol
PubChem CID15892923
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name6-methylhept-5-en-1-yn-4-ol
SMILESC#CCC(O)C=C(C)C
InChIInChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h1,6,8-9H,5H2,2-3H3
InChIKeyGBTJKQDIAHVSRY-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
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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Related Compounds

4-Methyl-4E-hepten-3-ol
CID 5368945
4-Hexen-1-yn-3-ol
CID 6285934
(E)-3-methylpent-3-en-2-ol
CID 6372307
3-Methyl-3-hexen-2-ol
CID 5363574
4,8-Decadien-3-ol, 5,9-dimethyl-
CID 5365900
(2S,3R)-10-methylundec-9-en-4,6-diyne-2,3,8-triol
CID 53317968
(8E)-undeca-1,8-dien-5-yne-3,7-diol
CID 121232665
(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
CID 162905882
3-Methylpent-3-en-2-ol
CID 301567
4-Hexen-3-ol, 5-methyl-
CID 11332440
2,7-Dimethyl-2,6-octadien-4-ol
CID 558898
(Z)-3-ethylpent-2-en-4-yn-1-ol
CID 10630453

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-5-en-1-yn-4-ol?
The IUPAC name of 6-methylhept-5-en-1-yn-4-ol (CID 15892923) is 6-methylhept-5-en-1-yn-4-ol.
What is the SMILES notation for 6-methylhept-5-en-1-yn-4-ol?
The canonical SMILES for 6-methylhept-5-en-1-yn-4-ol is C#CCC(O)C=C(C)C.
What is the InChIKey of 6-methylhept-5-en-1-yn-4-ol?
The InChIKey is GBTJKQDIAHVSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h1,6,8-9H,5H2,2-3H3.
What are the key properties of 6-methylhept-5-en-1-yn-4-ol?
6-methylhept-5-en-1-yn-4-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 15892923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).