prop-2-enyl 1-bromocyclohexane-1-carboxylate

C10H15BrO2 — CID 135015067

IUPACprop-2-enyl 1-bromocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H15BrO2/c1-2-8-13-9(12)10(11)6-4-3-5-7-10/h2H,1,3-8H2
InChIKeyZCUOTBIVKIWQCL-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.81
Rot. Bonds3

About prop-2-enyl 1-bromocyclohexane-1-carboxylate

prop-2-enyl 1-bromocyclohexane-1-carboxylate (PubChem CID 135015067) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is prop-2-enyl 1-bromocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-bromocyclohexane-1-carboxylate
PubChem CID135015067
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Nameprop-2-enyl 1-bromocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H15BrO2/c1-2-8-13-9(12)10(11)6-4-3-5-7-10/h2H,1,3-8H2
InChIKeyZCUOTBIVKIWQCL-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl 1-bromocyclohexane-1-carboxylate 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

bis(prop-2-enyl) cyclohexane-1,1-dicarboxylate;1,2-bis(prop-2-enyl)cyclohexane-1,2-dicarboxylic acid
CID 175688557
prop-2-enyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 12619400
prop-2-enyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
CID 66743418
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
bis(prop-2-enyl) 3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-dicarboxylate
CID 89428497
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
bis(prop-2-enyl) 1,4-dimethyl-2,5-dioxocyclohexane-1,4-dicarboxylate
CID 24894479
prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
CID 155131391
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
CID 173229851
CID 173229851
1-prop-2-enylcyclohexane-1-carboxamide
CID 15707441

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-bromocyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 1-bromocyclohexane-1-carboxylate (CID 135015067) is prop-2-enyl 1-bromocyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 1-bromocyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 1-bromocyclohexane-1-carboxylate is C=CCOC(=O)C1(Br)CCCCC1.
What is the InChIKey of prop-2-enyl 1-bromocyclohexane-1-carboxylate?
The InChIKey is ZCUOTBIVKIWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-2-8-13-9(12)10(11)6-4-3-5-7-10/h2H,1,3-8H2.
What are the key properties of prop-2-enyl 1-bromocyclohexane-1-carboxylate?
prop-2-enyl 1-bromocyclohexane-1-carboxylate has a molecular weight of 247.13 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-bromocyclohexane-1-carboxylate is sourced from PubChem (CID 135015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).