(E)-oct-2-en-4-yne-1,8-diol

C8H12O2 — CID 130123258

IUPAC(E)-oct-2-en-4-yne-1,8-diol
SMILESOC/C=C/C#CCCCO
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,9-10H,4,6-8H2/b5-3+
InChIKeyARKNIJCWQOUUQO-HWKANZROSA-N
MW140.18 g/mol
LogP0.31
Rot. Bonds3

About (E)-oct-2-en-4-yne-1,8-diol

(E)-oct-2-en-4-yne-1,8-diol (PubChem CID 130123258) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (E)-oct-2-en-4-yne-1,8-diol.

Molecular Properties

Compound Name(E)-oct-2-en-4-yne-1,8-diol
PubChem CID130123258
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(E)-oct-2-en-4-yne-1,8-diol
SMILESOC/C=C/C#CCCCO
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,9-10H,4,6-8H2/b5-3+
InChIKeyARKNIJCWQOUUQO-HWKANZROSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(Z)-9-chloronon-8-en-6-yn-1-ol
CID 15169922
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(E)-10-phosphanyloxyundec-8-en-6-yn-1-ol
CID 20579701
dec-4-en-6-yne
CID 556417
(Z)-heptadec-8-en-6-yne
CID 101260338
10-chlorodec-3-en-5-yne
CID 141439405
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864

Frequently Asked Questions

What is the IUPAC name of (E)-oct-2-en-4-yne-1,8-diol?
The IUPAC name of (E)-oct-2-en-4-yne-1,8-diol (CID 130123258) is (E)-oct-2-en-4-yne-1,8-diol.
What is the SMILES notation for (E)-oct-2-en-4-yne-1,8-diol?
The canonical SMILES for (E)-oct-2-en-4-yne-1,8-diol is OC/C=C/C#CCCCO.
What is the InChIKey of (E)-oct-2-en-4-yne-1,8-diol?
The InChIKey is ARKNIJCWQOUUQO-HWKANZROSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,9-10H,4,6-8H2/b5-3+.
What are the key properties of (E)-oct-2-en-4-yne-1,8-diol?
(E)-oct-2-en-4-yne-1,8-diol has a molecular weight of 140.18 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-2-en-4-yne-1,8-diol is sourced from PubChem (CID 130123258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).