decan-2-yl 2-methylpropyl carbonate

C15H30O3 — CID 91692891

IUPACdecan-2-yl 2-methylpropyl carbonate
SMILESCCCCCCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C15H30O3/c1-5-6-7-8-9-10-11-14(4)18-15(16)17-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyCOWRQWHWEJMASQ-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.93
Rot. Bonds10

About decan-2-yl 2-methylpropyl carbonate

decan-2-yl 2-methylpropyl carbonate (PubChem CID 91692891) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is decan-2-yl 2-methylpropyl carbonate.

Molecular Properties

Compound Namedecan-2-yl 2-methylpropyl carbonate
PubChem CID91692891
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namedecan-2-yl 2-methylpropyl carbonate
SMILESCCCCCCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C15H30O3/c1-5-6-7-8-9-10-11-14(4)18-15(16)17-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyCOWRQWHWEJMASQ-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-O-(2-methylpropyl) 2-O-octan-2-yl oxalate
CID 127255524
2-methylpropyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91693507
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
decan-2-yl 2-hydroxypropanoate
CID 118918104
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
pentacosan-2-yl acetate
CID 173416941
heptadecan-2-yl hydrogen carbonate
CID 87300493
hexadecan-2-yl propanoate
CID 154494346
[(2R)-octan-2-yl] carbonofluoridate
CID 135080787
[(2S)-dodecan-2-yl] propanoate
CID 162853259
2-methylpropyl 2-ethylnonanoate
CID 175297252

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 2-methylpropyl carbonate?
The IUPAC name of decan-2-yl 2-methylpropyl carbonate (CID 91692891) is decan-2-yl 2-methylpropyl carbonate.
What is the SMILES notation for decan-2-yl 2-methylpropyl carbonate?
The canonical SMILES for decan-2-yl 2-methylpropyl carbonate is CCCCCCCCC(C)OC(=O)OCC(C)C.
What is the InChIKey of decan-2-yl 2-methylpropyl carbonate?
The InChIKey is COWRQWHWEJMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-6-7-8-9-10-11-14(4)18-15(16)17-12-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of decan-2-yl 2-methylpropyl carbonate?
decan-2-yl 2-methylpropyl carbonate has a molecular weight of 258.40 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 2-methylpropyl carbonate is sourced from PubChem (CID 91692891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).