(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol

C8H12O — CID 88944494

IUPAC(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)CO
InChIInChI=1S/C8H12O/c1-3-5-6-8(4-2)7-9/h3-6,9H,1,7H2,2H3/b6-5-,8-4+
InChIKeyCPCFLEUCFVLOOZ-QNMAEOQASA-N
MW124.18 g/mol
LogP1.67
Rot. Bonds3

About (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol

(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol (PubChem CID 88944494) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol
PubChem CID88944494
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)CO
InChIInChI=1S/C8H12O/c1-3-5-6-8(4-2)7-9/h3-6,9H,1,7H2,2H3/b6-5-,8-4+
InChIKeyCPCFLEUCFVLOOZ-QNMAEOQASA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
2,4-Heptadien-1-ol, (2E,4E)-
CID 5367391
Hepta-2,4-dien-1-ol
CID 118487
2,4-Octadien-1-ol, (2E,4E)-
CID 6436488
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
CID 5319723
3,5-Octadien-1-ol, (3Z,5E)-
CID 59164020
2-Methyl-2-penten-1-ol
CID 5362851
Npc184824
CID 5364580
3-Methylpent-2-ene-1,5-diol
CID 5362855
(3E,5Z)-3,5-Octadien-1-ol
CID 87170471
Aspinotriol B
CID 24763080
trans-Ocimenol
CID 6430998

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol (CID 88944494) is (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol is C=C/C=C\C(=C/C)CO.
What is the InChIKey of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol?
The InChIKey is CPCFLEUCFVLOOZ-QNMAEOQASA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-6-8(4-2)7-9/h3-6,9H,1,7H2,2H3/b6-5-,8-4+.
What are the key properties of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol?
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidenehexa-3,5-dien-1-ol is sourced from PubChem (CID 88944494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).