5-bromopentyl 3-methoxy-2-methylpropanoate

C10H19BrO3 — CID 174268328

IUPAC5-bromopentyl 3-methoxy-2-methylpropanoate
SMILESCOCC(C)C(=O)OCCCCCBr
InChIInChI=1S/C10H19BrO3/c1-9(8-13-2)10(12)14-7-5-3-4-6-11/h9H,3-8H2,1-2H3
InChIKeyRHSURNCROYINIE-UHFFFAOYSA-N
MW267.16 g/mol
LogP2.38
Rot. Bonds8

About 5-bromopentyl 3-methoxy-2-methylpropanoate

5-bromopentyl 3-methoxy-2-methylpropanoate (PubChem CID 174268328) has the molecular formula C10H19BrO3 and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-bromopentyl 3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name5-bromopentyl 3-methoxy-2-methylpropanoate
PubChem CID174268328
Molecular FormulaC10H19BrO3
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name5-bromopentyl 3-methoxy-2-methylpropanoate
SMILESCOCC(C)C(=O)OCCCCCBr
InChIInChI=1S/C10H19BrO3/c1-9(8-13-2)10(12)14-7-5-3-4-6-11/h9H,3-8H2,1-2H3
InChIKeyRHSURNCROYINIE-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 52.38
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'}

Analyze 5-bromopentyl 3-methoxy-2-methylpropanoate 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

tridecan-7-yl 6-(3-methoxy-2-methylpropanoyl)oxyhexanoate
CID 170201243
6-methoxyhexyl 2-methylpropanoate
CID 135199835
6-bromohexyl carbamate
CID 174934401
5-bromopentyl 2-octyldecanoate
CID 172946114
dioctyl 2-(6-bromohexyl)propanedioate
CID 171795814
10-bromodecyl 8-bromooctanoate
CID 71420607
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
8-bromooctyl 7-bromoheptanoate
CID 102434527
6-bromohexyl undecyl carbonate
CID 163210907
6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
CID 140615646
1-bromo-4-[(2S)-1-methoxypropan-2-yl]oxybutane
CID 75406718

Frequently Asked Questions

What is the IUPAC name of 5-bromopentyl 3-methoxy-2-methylpropanoate?
The IUPAC name of 5-bromopentyl 3-methoxy-2-methylpropanoate (CID 174268328) is 5-bromopentyl 3-methoxy-2-methylpropanoate.
What is the SMILES notation for 5-bromopentyl 3-methoxy-2-methylpropanoate?
The canonical SMILES for 5-bromopentyl 3-methoxy-2-methylpropanoate is COCC(C)C(=O)OCCCCCBr.
What is the InChIKey of 5-bromopentyl 3-methoxy-2-methylpropanoate?
The InChIKey is RHSURNCROYINIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3/c1-9(8-13-2)10(12)14-7-5-3-4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 5-bromopentyl 3-methoxy-2-methylpropanoate?
5-bromopentyl 3-methoxy-2-methylpropanoate has a molecular weight of 267.16 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentyl 3-methoxy-2-methylpropanoate is sourced from PubChem (CID 174268328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).