Isobutyl 2-methylpentyl carbonate

C11H22O3 — CID 91693242

IUPAC2-methylpentyl 2-methylpropyl carbonate
SMILESCCCC(C)COC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-10(4)8-14-11(12)13-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyXYZARVDECJGYPM-UHFFFAOYSA-N
MW202.29 g/mol
LogP4.10
Rot. Bonds8

About Isobutyl 2-methylpentyl carbonate

Isobutyl 2-methylpentyl carbonate (PubChem CID 91693242) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methylpentyl 2-methylpropyl carbonate.

Molecular Properties

Compound NameIsobutyl 2-methylpentyl carbonate
PubChem CID91693242
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methylpentyl 2-methylpropyl carbonate
SMILESCCCC(C)COC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-10(4)8-14-11(12)13-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyXYZARVDECJGYPM-UHFFFAOYSA-N
XLogP4.10
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diisopentyl carbonate
CID 74913
Dipentyl carbonate
CID 222266
Carbonic acid, pentyl propyl ester
CID 6420385
Carbonic acid, ethyl pentyl ester
CID 6421512
Ethyl 2-ethylbutyl carbonate
CID 23449322
Ethyl isopentyl carbonate
CID 23451732
Isopentyl propyl carbonate
CID 54084909
Carbonic acid, ethyl 2-ethylhexyl ester
CID 54194012
2,4-Dimethylpentan-3-yl ethyl carbonate
CID 59320467
Carbonic acid, butyl 2-ethylhexyl ester
CID 91693071
Carbonic acid, isobutyl 2-ethylhexyl ester
CID 91693076
Carbonic acid, 2-ethylhexyl propyl ester
CID 91695383

Frequently Asked Questions

What is the IUPAC name of Isobutyl 2-methylpentyl carbonate?
The IUPAC name of Isobutyl 2-methylpentyl carbonate (CID 91693242) is 2-methylpentyl 2-methylpropyl carbonate.
What is the SMILES notation for Isobutyl 2-methylpentyl carbonate?
The canonical SMILES for Isobutyl 2-methylpentyl carbonate is CCCC(C)COC(=O)OCC(C)C.
What is the InChIKey of Isobutyl 2-methylpentyl carbonate?
The InChIKey is XYZARVDECJGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6-10(4)8-14-11(12)13-7-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of Isobutyl 2-methylpentyl carbonate?
Isobutyl 2-methylpentyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Isobutyl 2-methylpentyl carbonate is sourced from PubChem (CID 91693242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).