2-methylpropyl 2-propylpentyl carbonate

C13H26O3 — CID 138486320

IUPAC2-methylpropyl 2-propylpentyl carbonate
SMILESCCCC(CCC)COC(=O)OCC(C)C
InChIInChI=1S/C13H26O3/c1-5-7-12(8-6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyCEQGVJOAPFHYHJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.01
Rot. Bonds8

About 2-methylpropyl 2-propylpentyl carbonate

2-methylpropyl 2-propylpentyl carbonate (PubChem CID 138486320) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methylpropyl 2-propylpentyl carbonate.

Molecular Properties

Compound Name2-methylpropyl 2-propylpentyl carbonate
PubChem CID138486320
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-methylpropyl 2-propylpentyl carbonate
SMILESCCCC(CCC)COC(=O)OCC(C)C
InChIInChI=1S/C13H26O3/c1-5-7-12(8-6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyCEQGVJOAPFHYHJ-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propylpentyl 2-methylbutanoate
CID 155014190
bis(5-methyl-2-propylhexyl) 2,5-dimethylhexanedioate
CID 138680198
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-methylpropyl 2-sulfanylpentanoate
CID 87341273
2-propylhexyl 2-methylpropanoate
CID 129131557
2-methylpropyl pentyl carbonate;propane
CID 159689865
ethanol;2-methylpropyl pentyl carbonate
CID 174542240
hydroxy 2-methylpropyl carbonate
CID 140981524
1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
(5-methyl-2-propylhexyl) 16-methylheptadecanoate
CID 152598986
decan-2-yl 2-methylpropyl carbonate
CID 91692891
2-methylpropyl prop-2-enyl carbonate
CID 6420250

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-propylpentyl carbonate?
The IUPAC name of 2-methylpropyl 2-propylpentyl carbonate (CID 138486320) is 2-methylpropyl 2-propylpentyl carbonate.
What is the SMILES notation for 2-methylpropyl 2-propylpentyl carbonate?
The canonical SMILES for 2-methylpropyl 2-propylpentyl carbonate is CCCC(CCC)COC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-propylpentyl carbonate?
The InChIKey is CEQGVJOAPFHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-7-12(8-6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methylpropyl 2-propylpentyl carbonate?
2-methylpropyl 2-propylpentyl carbonate has a molecular weight of 230.35 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-propylpentyl carbonate is sourced from PubChem (CID 138486320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).