(3S)-4-ethenylideneoct-1-yn-3-ol

C10H14O — CID 11446440

IUPAC(3S)-4-ethenylideneoct-1-yn-3-ol
SMILESC#C[C@H](O)C(=C=C)CCCC
InChIInChI=1S/C10H14O/c1-4-7-8-9(5-2)10(11)6-3/h3,10-11H,2,4,7-8H2,1H3/t10-/m0/s1
InChIKeyHOYPRLMOQAZNMZ-JTQLQIEISA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds4

About (3S)-4-ethenylideneoct-1-yn-3-ol

(3S)-4-ethenylideneoct-1-yn-3-ol (PubChem CID 11446440) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3S)-4-ethenylideneoct-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-4-ethenylideneoct-1-yn-3-ol
PubChem CID11446440
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3S)-4-ethenylideneoct-1-yn-3-ol
SMILESC#C[C@H](O)C(=C=C)CCCC
InChIInChI=1S/C10H14O/c1-4-7-8-9(5-2)10(11)6-3/h3,10-11H,2,4,7-8H2,1H3/t10-/m0/s1
InChIKeyHOYPRLMOQAZNMZ-JTQLQIEISA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
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 (3S)-4-ethenylideneoct-1-yn-3-ol?
The IUPAC name of (3S)-4-ethenylideneoct-1-yn-3-ol (CID 11446440) is (3S)-4-ethenylideneoct-1-yn-3-ol.
What is the SMILES notation for (3S)-4-ethenylideneoct-1-yn-3-ol?
The canonical SMILES for (3S)-4-ethenylideneoct-1-yn-3-ol is C#C[C@H](O)C(=C=C)CCCC.
What is the InChIKey of (3S)-4-ethenylideneoct-1-yn-3-ol?
The InChIKey is HOYPRLMOQAZNMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O/c1-4-7-8-9(5-2)10(11)6-3/h3,10-11H,2,4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-4-ethenylideneoct-1-yn-3-ol?
(3S)-4-ethenylideneoct-1-yn-3-ol has a molecular weight of 150.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethenylideneoct-1-yn-3-ol is sourced from PubChem (CID 11446440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).