tert-butyl pentan-3-yl carbonate

C10H20O3 — CID 88907075

IUPACtert-butyl pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-6-8(7-2)12-9(11)13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyPGWAXFRMAKEOTL-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl pentan-3-yl carbonate

tert-butyl pentan-3-yl carbonate (PubChem CID 88907075) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl pentan-3-yl carbonate.

Molecular Properties

Compound Nametert-butyl pentan-3-yl carbonate
PubChem CID88907075
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametert-butyl pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-6-8(7-2)12-9(11)13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyPGWAXFRMAKEOTL-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
tert-butyl nonadecan-10-yl carbonate
CID 176728212
tert-butyl decan-4-yl carbonate
CID 88667315
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
tert-butyl 3-propanoyloxypentanoate
CID 19889267
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
tert-butyl [(4R)-heptadec-1-en-4-yl] carbonate
CID 46834775
1-bromoethyl pentan-3-yl carbonate
CID 54044128
3-methylpentan-2-yl pentan-3-yl carbonate
CID 139479446
bis(1,1,1-trifluoropentan-3-yl) carbonate
CID 87132428
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
3-aminopentyl tert-butyl carbonate
CID 174407601

Frequently Asked Questions

What is the IUPAC name of tert-butyl pentan-3-yl carbonate?
The IUPAC name of tert-butyl pentan-3-yl carbonate (CID 88907075) is tert-butyl pentan-3-yl carbonate.
What is the SMILES notation for tert-butyl pentan-3-yl carbonate?
The canonical SMILES for tert-butyl pentan-3-yl carbonate is CCC(CC)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl pentan-3-yl carbonate?
The InChIKey is PGWAXFRMAKEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-8(7-2)12-9(11)13-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl pentan-3-yl carbonate?
tert-butyl pentan-3-yl carbonate has a molecular weight of 188.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pentan-3-yl carbonate is sourced from PubChem (CID 88907075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).