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

C10H17BrO — CID 143124692

IUPAC(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(Br)\C(=C/C)CO.CC
InChIInChI=1S/C8H11BrO.C2H6/c1-3-5-8(9)7(4-2)6-10;1-2/h3-5,10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;
InChIKeyVUTDUKSPFIQLLT-QMKOBIDDSA-N
MW233.15 g/mol
LogP3.42
Rot. Bonds3

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

(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane (PubChem CID 143124692) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane.

Molecular Properties

Compound Name(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
PubChem CID143124692
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(Br)\C(=C/C)CO.CC
InChIInChI=1S/C8H11BrO.C2H6/c1-3-5-8(9)7(4-2)6-10;1-2/h3-5,10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;
InChIKeyVUTDUKSPFIQLLT-QMKOBIDDSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238
(2E)-2-[(E)-1-nitroprop-1-enyl]penta-2,4-dien-1-ol
CID 143808587
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3E,5E)-4-(bromomethyl)-5-(1-methoxyethenyl)hepta-1,3,5-triene;ethane
CID 143510636
(3Z)-3-[(E)-1-(methylamino)but-2-en-2-yl]hexa-3,5-dienal
CID 142384554
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane?
The IUPAC name of (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane (CID 143124692) is (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane.
What is the SMILES notation for (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane?
The canonical SMILES for (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane is C=C/C=C(Br)\C(=C/C)CO.CC.
What is the InChIKey of (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane?
The InChIKey is VUTDUKSPFIQLLT-QMKOBIDDSA-N. The full InChI is InChI=1S/C8H11BrO.C2H6/c1-3-5-8(9)7(4-2)6-10;1-2/h3-5,10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;.
What are the key properties of (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane?
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane has a molecular weight of 233.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane is sourced from PubChem (CID 143124692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).