hexan-2-yl 2-methylpropyl carbonate

C11H22O3 — CID 58096634

IUPAChexan-2-yl 2-methylpropyl carbonate
SMILESCCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-7-10(4)14-11(12)13-8-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRAUQWILGYJILBA-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.37
Rot. Bonds6

About hexan-2-yl 2-methylpropyl carbonate

hexan-2-yl 2-methylpropyl carbonate (PubChem CID 58096634) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is hexan-2-yl 2-methylpropyl carbonate.

Molecular Properties

Compound Namehexan-2-yl 2-methylpropyl carbonate
PubChem CID58096634
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namehexan-2-yl 2-methylpropyl carbonate
SMILESCCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-7-10(4)14-11(12)13-8-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRAUQWILGYJILBA-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hexan-2-yl 2-methylpropyl carbonate?
The IUPAC name of hexan-2-yl 2-methylpropyl carbonate (CID 58096634) is hexan-2-yl 2-methylpropyl carbonate.
What is the SMILES notation for hexan-2-yl 2-methylpropyl carbonate?
The canonical SMILES for hexan-2-yl 2-methylpropyl carbonate is CCCCC(C)OC(=O)OCC(C)C.
What is the InChIKey of hexan-2-yl 2-methylpropyl carbonate?
The InChIKey is RAUQWILGYJILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6-7-10(4)14-11(12)13-8-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of hexan-2-yl 2-methylpropyl carbonate?
hexan-2-yl 2-methylpropyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl 2-methylpropyl carbonate is sourced from PubChem (CID 58096634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).