butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate

C10H15BrO3 — CID 134935207

IUPACbutyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
SMILESCCCCOC(=O)/C(Br)=C1\CCCO1
InChIInChI=1S/C10H15BrO3/c1-2-3-6-14-10(12)9(11)8-5-4-7-13-8/h2-7H2,1H3/b9-8-
InChIKeyOAPVDTRBUDQDKR-HJWRWDBZSA-N
MW263.13 g/mol
LogP2.75
Rot. Bonds4

About butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate

butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate (PubChem CID 134935207) has the molecular formula C10H15BrO3 and a molecular weight of 263.13 g/mol. Its IUPAC name is butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate.

Molecular Properties

Compound Namebutyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
PubChem CID134935207
Molecular FormulaC10H15BrO3
Molecular Weight263.13 g/mol
Exact Mass262.02
IUPAC Namebutyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
SMILESCCCCOC(=O)/C(Br)=C1\CCCO1
InChIInChI=1S/C10H15BrO3/c1-2-3-6-14-10(12)9(11)8-5-4-7-13-8/h2-7H2,1H3/b9-8-
InChIKeyOAPVDTRBUDQDKR-HJWRWDBZSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate 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

butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
CID 142685966
acetic acid;dibutyl oxalate
CID 175057200
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
butyl 3-bromo-2-oxopropanoate
CID 23332070
butyl 2-methylprop-2-enoate;cyclohexanone
CID 67714172
dibutyl 2,5-dioxohexanedioate
CID 90415648
2-butoxycarbonylprop-2-enoic acid
CID 18618552
butyl 3-hydroxy-2-methylprop-2-enoate
CID 141127491
(1E)-1-(oxolan-2-ylidene)hexan-2-one
CID 10855887
butyl acetate;oxolane;propan-2-one
CID 158259250
butyl 2-[2-(2-butoxy-2-oxoethyl)cyclohexen-1-yl]acetate
CID 19980675
ditridecyl oxalate
CID 18377796

Frequently Asked Questions

What is the IUPAC name of butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The IUPAC name of butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate (CID 134935207) is butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate.
What is the SMILES notation for butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The canonical SMILES for butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate is CCCCOC(=O)/C(Br)=C1\CCCO1.
What is the InChIKey of butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The InChIKey is OAPVDTRBUDQDKR-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H15BrO3/c1-2-3-6-14-10(12)9(11)8-5-4-7-13-8/h2-7H2,1H3/b9-8-.
What are the key properties of butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate has a molecular weight of 263.13 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate is sourced from PubChem (CID 134935207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).