(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol

C9H13BrO2 — CID 155300456

IUPAC(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol
SMILESC=C(Br)/C=C(/CCCO)C(=C)O
InChIInChI=1S/C9H13BrO2/c1-7(10)6-9(8(2)12)4-3-5-11/h6,11-12H,1-5H2/b9-6-
InChIKeyWDIRWOICEOSAFT-TWGQIWQCSA-N
MW233.10 g/mol
LogP2.67
Rot. Bonds5

About (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol

(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol (PubChem CID 155300456) has the molecular formula C9H13BrO2 and a molecular weight of 233.10 g/mol. Its IUPAC name is (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol.

Molecular Properties

Compound Name(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol
PubChem CID155300456
Molecular FormulaC9H13BrO2
Molecular Weight233.10 g/mol
Exact Mass232.01
IUPAC Name(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol
SMILESC=C(Br)/C=C(/CCCO)C(=C)O
InChIInChI=1S/C9H13BrO2/c1-7(10)6-9(8(2)12)4-3-5-11/h6,11-12H,1-5H2/b9-6-
InChIKeyWDIRWOICEOSAFT-TWGQIWQCSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol 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

6-bromohept-6-en-1-ol
CID 122546452
2-(3-hydroxypropyl)pent-2-enoic acid
CID 88785343
CID 157146691
CID 157146691
(3E)-5-bromo-3-methoxyhexa-1,3,5-trien-2-ol
CID 171072212
hexa-4,5-diene-1,4-diol
CID 176541004
(3E)-5-bromo-3-(trifluoromethoxy)hexa-1,3,5-trien-2-ol
CID 178055051
4-hydroxybutanoic acid;4-oxobutanoic acid
CID 89310122
(E)-4-(chloromethyl)hex-4-en-1-ol
CID 12869748
7-amino-4-methylideneheptan-1-ol
CID 174330037
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
(6Z)-5-methylidenenona-6,8-dien-1-ol
CID 142368056
CID 158555375
CID 158555375

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol?
The IUPAC name of (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol (CID 155300456) is (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol.
What is the SMILES notation for (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol?
The canonical SMILES for (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol is C=C(Br)/C=C(/CCCO)C(=C)O.
What is the InChIKey of (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol?
The InChIKey is WDIRWOICEOSAFT-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H13BrO2/c1-7(10)6-9(8(2)12)4-3-5-11/h6,11-12H,1-5H2/b9-6-.
What are the key properties of (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol?
(4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol has a molecular weight of 233.10 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-bromoprop-2-enylidene)hex-5-ene-1,5-diol is sourced from PubChem (CID 155300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).