(E)-6-methyloct-5-en-7-yn-2-ol

C9H14O — CID 131856272

IUPAC(E)-6-methyloct-5-en-7-yn-2-ol
SMILESC#C/C(C)=C/CCC(C)O
InChIInChI=1S/C9H14O/c1-4-8(2)6-5-7-9(3)10/h1,6,9-10H,5,7H2,2-3H3/b8-6+
InChIKeyMOBVIPDEEJNGLO-SOFGYWHQSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds3

About (E)-6-methyloct-5-en-7-yn-2-ol

(E)-6-methyloct-5-en-7-yn-2-ol (PubChem CID 131856272) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-6-methyloct-5-en-7-yn-2-ol.

Molecular Properties

Compound Name(E)-6-methyloct-5-en-7-yn-2-ol
PubChem CID131856272
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(E)-6-methyloct-5-en-7-yn-2-ol
SMILESC#C/C(C)=C/CCC(C)O
InChIInChI=1S/C9H14O/c1-4-8(2)6-5-7-9(3)10/h1,6,9-10H,5,7H2,2-3H3/b8-6+
InChIKeyMOBVIPDEEJNGLO-SOFGYWHQSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6,10-dimethyldodeca-5,9-dien-2-ol
CID 76600828
6,10-dimethylundec-5-en-2-ol
CID 57253097
methyl (E)-6-hydroxy-2-(2-oxopropyl)hept-2-enoate
CID 10965877
(E)-7-methylnon-5-en-2-ol
CID 87272842
6,10-dimethylundec-9-en-1-yne
CID 175139097
(E)-6,10-dimethylpentadec-5-en-2-ol
CID 129151744
prop-2-enyl 6-hydroxy-2-methylhept-2-enoate
CID 173239846
ethane;hexane-2,5-diol
CID 143963822
[(E)-3-methylpent-2-en-4-ynyl] thiocyanate
CID 10796798
(Z)-hex-2-ene-2,5-diol
CID 12871463
(E)-2,6-dimethyloct-5-en-7-yn-4-one
CID 13317826
N-[(3R)-3-hydroxybutyl]prop-2-ynamide
CID 130636793

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyloct-5-en-7-yn-2-ol?
The IUPAC name of (E)-6-methyloct-5-en-7-yn-2-ol (CID 131856272) is (E)-6-methyloct-5-en-7-yn-2-ol.
What is the SMILES notation for (E)-6-methyloct-5-en-7-yn-2-ol?
The canonical SMILES for (E)-6-methyloct-5-en-7-yn-2-ol is C#C/C(C)=C/CCC(C)O.
What is the InChIKey of (E)-6-methyloct-5-en-7-yn-2-ol?
The InChIKey is MOBVIPDEEJNGLO-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H14O/c1-4-8(2)6-5-7-9(3)10/h1,6,9-10H,5,7H2,2-3H3/b8-6+.
What are the key properties of (E)-6-methyloct-5-en-7-yn-2-ol?
(E)-6-methyloct-5-en-7-yn-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyloct-5-en-7-yn-2-ol is sourced from PubChem (CID 131856272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).