2-methylpropyl pentan-2-yl carbonate

C10H20O3 — CID 58096608

IUPAC2-methylpropyl pentan-2-yl carbonate
SMILESCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C10H20O3/c1-5-6-9(4)13-10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyBNBBJRKBAZHRAB-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.98
Rot. Bonds5

About 2-methylpropyl pentan-2-yl carbonate

2-methylpropyl pentan-2-yl carbonate (PubChem CID 58096608) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylpropyl pentan-2-yl carbonate.

Molecular Properties

Compound Name2-methylpropyl pentan-2-yl carbonate
PubChem CID58096608
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methylpropyl pentan-2-yl carbonate
SMILESCCCC(C)OC(=O)OCC(C)C
InChIInChI=1S/C10H20O3/c1-5-6-9(4)13-10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyBNBBJRKBAZHRAB-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl pentan-2-yl carbonate?
The IUPAC name of 2-methylpropyl pentan-2-yl carbonate (CID 58096608) is 2-methylpropyl pentan-2-yl carbonate.
What is the SMILES notation for 2-methylpropyl pentan-2-yl carbonate?
The canonical SMILES for 2-methylpropyl pentan-2-yl carbonate is CCCC(C)OC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl pentan-2-yl carbonate?
The InChIKey is BNBBJRKBAZHRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-9(4)13-10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl pentan-2-yl carbonate?
2-methylpropyl pentan-2-yl carbonate has a molecular weight of 188.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl pentan-2-yl carbonate is sourced from PubChem (CID 58096608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).