3-ethylpentan-3-yl propan-2-yl carbonate

C11H22O3 — CID 173147258

IUPAC3-ethylpentan-3-yl propan-2-yl carbonate
SMILESCCC(CC)(CC)OC(=O)OC(C)C
InChIInChI=1S/C11H22O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h9H,6-8H2,1-5H3
InChIKeyGDEDLCMUIFYFNL-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.52
Rot. Bonds5

About 3-ethylpentan-3-yl propan-2-yl carbonate

3-ethylpentan-3-yl propan-2-yl carbonate (PubChem CID 173147258) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-ethylpentan-3-yl propan-2-yl carbonate.

Molecular Properties

Compound Name3-ethylpentan-3-yl propan-2-yl carbonate
PubChem CID173147258
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-ethylpentan-3-yl propan-2-yl carbonate
SMILESCCC(CC)(CC)OC(=O)OC(C)C
InChIInChI=1S/C11H22O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h9H,6-8H2,1-5H3
InChIKeyGDEDLCMUIFYFNL-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylpent-1-en-3-yl propan-2-yl carbonate
CID 139638690
(1-bromo-2-iodopropan-2-yl) propan-2-yl carbonate
CID 87089777
3-ethylpentan-3-yl 2-chloro-2-oxoacetate
CID 129294112
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
ethoxy propan-2-yl carbonate
CID 21290921
3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
3-ethylpentan-3-yl (NE)-N-(3-ethylpentan-3-yloxycarbonylimino)carbamate
CID 53343094
1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104
5-butylnonan-5-yl methyl carbonate
CID 141441033
propane;propan-2-yl acetate
CID 23325886
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
CID 118087278

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-yl propan-2-yl carbonate?
The IUPAC name of 3-ethylpentan-3-yl propan-2-yl carbonate (CID 173147258) is 3-ethylpentan-3-yl propan-2-yl carbonate.
What is the SMILES notation for 3-ethylpentan-3-yl propan-2-yl carbonate?
The canonical SMILES for 3-ethylpentan-3-yl propan-2-yl carbonate is CCC(CC)(CC)OC(=O)OC(C)C.
What is the InChIKey of 3-ethylpentan-3-yl propan-2-yl carbonate?
The InChIKey is GDEDLCMUIFYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethylpentan-3-yl propan-2-yl carbonate?
3-ethylpentan-3-yl propan-2-yl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-yl propan-2-yl carbonate is sourced from PubChem (CID 173147258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).