6-bromohexyl prop-2-enyl carbonate

C10H17BrO3 — CID 10890766

IUPAC6-bromohexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCCCCCBr
InChIInChI=1S/C10H17BrO3/c1-2-8-13-10(12)14-9-6-4-3-5-7-11/h2H,1,3-9H2
InChIKeyPCHMKBGMUSAXLK-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.28
Rot. Bonds8

About 6-bromohexyl prop-2-enyl carbonate

6-bromohexyl prop-2-enyl carbonate (PubChem CID 10890766) has the molecular formula C10H17BrO3 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-bromohexyl prop-2-enyl carbonate.

Molecular Properties

Compound Name6-bromohexyl prop-2-enyl carbonate
PubChem CID10890766
Molecular FormulaC10H17BrO3
Molecular Weight265.15 g/mol
Exact Mass264.04
IUPAC Name6-bromohexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCCCCCBr
InChIInChI=1S/C10H17BrO3/c1-2-8-13-10(12)14-9-6-4-3-5-7-11/h2H,1,3-9H2
InChIKeyPCHMKBGMUSAXLK-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromohexyl prop-2-enyl carbonate 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

ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
6-bromohexyl undecyl carbonate
CID 163210907
3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
CID 23533996
bis(prop-2-enyl) carbonate;ethene
CID 87465968
bis(6-bromohexyl nonyl carbonate);carbonic acid
CID 175460185
11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
CID 135146365
6-bromohexyl carbamate
CID 174934401
CID 140777128
CID 140777128
but-3-enyl pentadecyl carbonate
CID 91692457
6-bromohexyl 7,7,8,8,8-pentafluorooctyl carbonate
CID 167145010
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
10-bromodecyl 8-bromooctanoate
CID 71420607

Frequently Asked Questions

What is the IUPAC name of 6-bromohexyl prop-2-enyl carbonate?
The IUPAC name of 6-bromohexyl prop-2-enyl carbonate (CID 10890766) is 6-bromohexyl prop-2-enyl carbonate.
What is the SMILES notation for 6-bromohexyl prop-2-enyl carbonate?
The canonical SMILES for 6-bromohexyl prop-2-enyl carbonate is C=CCOC(=O)OCCCCCCBr.
What is the InChIKey of 6-bromohexyl prop-2-enyl carbonate?
The InChIKey is PCHMKBGMUSAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO3/c1-2-8-13-10(12)14-9-6-4-3-5-7-11/h2H,1,3-9H2.
What are the key properties of 6-bromohexyl prop-2-enyl carbonate?
6-bromohexyl prop-2-enyl carbonate has a molecular weight of 265.15 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexyl prop-2-enyl carbonate is sourced from PubChem (CID 10890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).