2-ethylpentyl 2-methylbutan-2-yl carbonate

C13H26O3 — CID 139479516

IUPAC2-ethylpentyl 2-methylbutan-2-yl carbonate
SMILESCCCC(CC)COC(=O)OC(C)(C)CC
InChIInChI=1S/C13H26O3/c1-6-9-11(7-2)10-15-12(14)16-13(4,5)8-3/h11H,6-10H2,1-5H3
InChIKeySWJIICSQANTKAB-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.15
Rot. Bonds7

About 2-ethylpentyl 2-methylbutan-2-yl carbonate

2-ethylpentyl 2-methylbutan-2-yl carbonate (PubChem CID 139479516) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethylpentyl 2-methylbutan-2-yl carbonate.

Molecular Properties

Compound Name2-ethylpentyl 2-methylbutan-2-yl carbonate
PubChem CID139479516
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-ethylpentyl 2-methylbutan-2-yl carbonate
SMILESCCCC(CC)COC(=O)OC(C)(C)CC
InChIInChI=1S/C13H26O3/c1-6-9-11(7-2)10-15-12(14)16-13(4,5)8-3/h11H,6-10H2,1-5H3
InChIKeySWJIICSQANTKAB-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-ethylhexyl] 2-methylbutan-2-yloxy carbonate
CID 98090545
bis(2-ethylpentyl) (Z)-but-2-enedioate
CID 171777570
bis(2-ethylhexyl) carbonate;2,2-dimethylbutane-1,1-diol
CID 160953382
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-methylpropyl 2-propylpentyl carbonate
CID 138486320
ethyl 2-ethylhexyl carbonate
CID 54194012
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
6-O-tert-butyl 1-O-(2-ethylhexyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 139812340
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate
CID 23066473
2-ethylhexyl 2,4,4-trimethylpentan-2-ylperoxy carbonate
CID 139968242
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentyl 2-methylbutan-2-yl carbonate?
The IUPAC name of 2-ethylpentyl 2-methylbutan-2-yl carbonate (CID 139479516) is 2-ethylpentyl 2-methylbutan-2-yl carbonate.
What is the SMILES notation for 2-ethylpentyl 2-methylbutan-2-yl carbonate?
The canonical SMILES for 2-ethylpentyl 2-methylbutan-2-yl carbonate is CCCC(CC)COC(=O)OC(C)(C)CC.
What is the InChIKey of 2-ethylpentyl 2-methylbutan-2-yl carbonate?
The InChIKey is SWJIICSQANTKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-6-9-11(7-2)10-15-12(14)16-13(4,5)8-3/h11H,6-10H2,1-5H3.
What are the key properties of 2-ethylpentyl 2-methylbutan-2-yl carbonate?
2-ethylpentyl 2-methylbutan-2-yl carbonate has a molecular weight of 230.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentyl 2-methylbutan-2-yl carbonate is sourced from PubChem (CID 139479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).