chloro 3-methylbutyl carbonate

C6H11ClO3 — CID 22341746

IUPACchloro 3-methylbutyl carbonate
SMILESCC(C)CCOC(=O)OCl
InChIInChI=1S/C6H11ClO3/c1-5(2)3-4-9-6(8)10-7/h5H,3-4H2,1-2H3
InChIKeyNUOLIARZOZFIFV-UHFFFAOYSA-N
MW166.60 g/mol
LogP2.34
Rot. Bonds3

About chloro 3-methylbutyl carbonate

chloro 3-methylbutyl carbonate (PubChem CID 22341746) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is chloro 3-methylbutyl carbonate.

Molecular Properties

Compound Namechloro 3-methylbutyl carbonate
PubChem CID22341746
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Namechloro 3-methylbutyl carbonate
SMILESCC(C)CCOC(=O)OCl
InChIInChI=1S/C6H11ClO3/c1-5(2)3-4-9-6(8)10-7/h5H,3-4H2,1-2H3
InChIKeyNUOLIARZOZFIFV-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze chloro 3-methylbutyl 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

hex-3-yne-2,5-diol;3-methylbutoxycarbonyl 3-methylbutyl carbonate
CID 159904589
3-methylbutyl acetate;oxophosphanium
CID 159706016
heptane;3-methylbutyl acetate
CID 89407384
bis(8-methylnonyl) carbonate
CID 23302119
chloro hexyl carbonate
CID 90046740
bis(3-methylhexyl) carbonate
CID 19017004
3-methylbutyl 6-methyl-2,3-bis(3-methylbutyl)hept-2-enoate
CID 175036487
3-methylbutyl 3-methyl-2-sulfanylbutanoate
CID 107018436
bis(3-methylbutyl) tetradecanedioate
CID 87116358
bis(3-methylbutyl) (Z)-2,3-diethylbut-2-enedioate
CID 174863157
3-methylbutyl (Z)-but-2-enoate
CID 93481892
3-methylbutyl 2-hydroxybutanoate
CID 14923813

Frequently Asked Questions

What is the IUPAC name of chloro 3-methylbutyl carbonate?
The IUPAC name of chloro 3-methylbutyl carbonate (CID 22341746) is chloro 3-methylbutyl carbonate.
What is the SMILES notation for chloro 3-methylbutyl carbonate?
The canonical SMILES for chloro 3-methylbutyl carbonate is CC(C)CCOC(=O)OCl.
What is the InChIKey of chloro 3-methylbutyl carbonate?
The InChIKey is NUOLIARZOZFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-5(2)3-4-9-6(8)10-7/h5H,3-4H2,1-2H3.
What are the key properties of chloro 3-methylbutyl carbonate?
chloro 3-methylbutyl carbonate has a molecular weight of 166.60 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 3-methylbutyl carbonate is sourced from PubChem (CID 22341746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).