(E)-6-methylhept-4-en-2-yn-1-ol

C8H12O — CID 22961448

IUPAC(E)-6-methylhept-4-en-2-yn-1-ol
SMILESCC(C)/C=C/C#CCO
InChIInChI=1S/C8H12O/c1-8(2)6-4-3-5-7-9/h4,6,8-9H,7H2,1-2H3/b6-4+
InChIKeyRTELCBMNXVCLKE-GQCTYLIASA-N
MW124.18 g/mol
LogP1.19
Rot. Bonds1

About (E)-6-methylhept-4-en-2-yn-1-ol

(E)-6-methylhept-4-en-2-yn-1-ol (PubChem CID 22961448) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (E)-6-methylhept-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-6-methylhept-4-en-2-yn-1-ol
PubChem CID22961448
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(E)-6-methylhept-4-en-2-yn-1-ol
SMILESCC(C)/C=C/C#CCO
InChIInChI=1S/C8H12O/c1-8(2)6-4-3-5-7-9/h4,6,8-9H,7H2,1-2H3/b6-4+
InChIKeyRTELCBMNXVCLKE-GQCTYLIASA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Azedrjottihoiq-hyxafxhysa-
CID 13494571
3-Penten-1-ol, 2-methyl-
CID 5362823
(3E)-5-methyl-3-hexen-1-ol
CID 13494569
(Z)-2-methylpent-3-en-1-ol
CID 15575845
Mpuddmdnhkeyak-plngdyqasa-
CID 15174591
2-Methyl-3-penten-1-ol
CID 534922
(e)-Oct-4-en-2-yn-1-ol
CID 12180844
(E)-hept-5-en-2-yn-1-ol
CID 10975435
7-Methyloct-6-en-2-yn-1-ol
CID 10975562
(Z)-hept-4-en-2-yn-1-ol
CID 13315296
(E,2S)-2,5-dimethylhex-3-en-1-ol
CID 13525934
4-Hepten-2-yn-1-ol
CID 54212418

Frequently Asked Questions

What is the IUPAC name of (E)-6-methylhept-4-en-2-yn-1-ol?
The IUPAC name of (E)-6-methylhept-4-en-2-yn-1-ol (CID 22961448) is (E)-6-methylhept-4-en-2-yn-1-ol.
What is the SMILES notation for (E)-6-methylhept-4-en-2-yn-1-ol?
The canonical SMILES for (E)-6-methylhept-4-en-2-yn-1-ol is CC(C)/C=C/C#CCO.
What is the InChIKey of (E)-6-methylhept-4-en-2-yn-1-ol?
The InChIKey is RTELCBMNXVCLKE-GQCTYLIASA-N. The full InChI is InChI=1S/C8H12O/c1-8(2)6-4-3-5-7-9/h4,6,8-9H,7H2,1-2H3/b6-4+.
What are the key properties of (E)-6-methylhept-4-en-2-yn-1-ol?
(E)-6-methylhept-4-en-2-yn-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylhept-4-en-2-yn-1-ol is sourced from PubChem (CID 22961448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).