(E)-2-methyloct-5-en-7-yn-4-ol

C9H14O — CID 11217294

IUPAC(E)-2-methyloct-5-en-7-yn-4-ol
SMILESC#C/C=C/C(O)CC(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-9(10)7-8(2)3/h1,5-6,8-10H,7H2,2-3H3/b6-5+
InChIKeyCNGUNIPHBMRLAA-AATRIKPKSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds3

About (E)-2-methyloct-5-en-7-yn-4-ol

(E)-2-methyloct-5-en-7-yn-4-ol (PubChem CID 11217294) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-2-methyloct-5-en-7-yn-4-ol.

Molecular Properties

Compound Name(E)-2-methyloct-5-en-7-yn-4-ol
PubChem CID11217294
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(E)-2-methyloct-5-en-7-yn-4-ol
SMILESC#C/C=C/C(O)CC(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-9(10)7-8(2)3/h1,5-6,8-10H,7H2,2-3H3/b6-5+
InChIKeyCNGUNIPHBMRLAA-AATRIKPKSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyloct-5-en-7-yn-4-ol?
The IUPAC name of (E)-2-methyloct-5-en-7-yn-4-ol (CID 11217294) is (E)-2-methyloct-5-en-7-yn-4-ol.
What is the SMILES notation for (E)-2-methyloct-5-en-7-yn-4-ol?
The canonical SMILES for (E)-2-methyloct-5-en-7-yn-4-ol is C#C/C=C/C(O)CC(C)C.
What is the InChIKey of (E)-2-methyloct-5-en-7-yn-4-ol?
The InChIKey is CNGUNIPHBMRLAA-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14O/c1-4-5-6-9(10)7-8(2)3/h1,5-6,8-10H,7H2,2-3H3/b6-5+.
What are the key properties of (E)-2-methyloct-5-en-7-yn-4-ol?
(E)-2-methyloct-5-en-7-yn-4-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyloct-5-en-7-yn-4-ol is sourced from PubChem (CID 11217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).