(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol

C16H24O2 — CID 44889177

IUPAC(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
SMILESCCCC#C/C=C/CO.CCCC#C/C=C\CO
InChIInChI=1S/2C8H12O/c2*1-2-3-4-5-6-7-8-9/h2*6-7,9H,2-3,8H2,1H3/b7-6+;7-6-
InChIKeyBOLWAPGMCVWTDY-WNGLLYAYSA-N
MW248.37 g/mol
LogP2.68
Rot. Bonds4

About (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol

(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol (PubChem CID 44889177) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
PubChem CID44889177
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
SMILESCCCC#C/C=C/CO.CCCC#C/C=C\CO
InChIInChI=1S/2C8H12O/c2*1-2-3-4-5-6-7-8-9/h2*6-7,9H,2-3,8H2,1H3/b7-6+;7-6-
InChIKeyBOLWAPGMCVWTDY-WNGLLYAYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
dec-4-en-6-yne
CID 556417
(E)-oct-2-en-4-yne-1,8-diol
CID 130123258
(Z)-oct-2-en-4-yne
CID 5367022
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(E)-undec-3-en-5-yne
CID 5367449
hept-4-en-2-yn-1-ol
CID 54212418
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
hex-2-ynethial
CID 56991386
(Z)-heptadec-8-en-6-yne
CID 101260338

Frequently Asked Questions

What is the IUPAC name of (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol?
The IUPAC name of (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol (CID 44889177) is (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol is CCCC#C/C=C/CO.CCCC#C/C=C\CO.
What is the InChIKey of (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol?
The InChIKey is BOLWAPGMCVWTDY-WNGLLYAYSA-N. The full InChI is InChI=1S/2C8H12O/c2*1-2-3-4-5-6-7-8-9/h2*6-7,9H,2-3,8H2,1H3/b7-6+;7-6-.
What are the key properties of (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol?
(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol is sourced from PubChem (CID 44889177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).