bis(1-methylcyclopropyl) carbonate

C9H14O3 — CID 88996166

IUPACbis(1-methylcyclopropyl) carbonate
SMILESCC1(OC(=O)OC2(C)CC2)CC1
InChIInChI=1S/C9H14O3/c1-8(3-4-8)11-7(10)12-9(2)5-6-9/h3-6H2,1-2H3
InChIKeySCAAKHHDRLYICS-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.24
Rot. Bonds2

About bis(1-methylcyclopropyl) carbonate

bis(1-methylcyclopropyl) carbonate (PubChem CID 88996166) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is bis(1-methylcyclopropyl) carbonate.

Molecular Properties

Compound Namebis(1-methylcyclopropyl) carbonate
PubChem CID88996166
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namebis(1-methylcyclopropyl) carbonate
SMILESCC1(OC(=O)OC2(C)CC2)CC1
InChIInChI=1S/C9H14O3/c1-8(3-4-8)11-7(10)12-9(2)5-6-9/h3-6H2,1-2H3
InChIKeySCAAKHHDRLYICS-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylcyclopropyl) carbonate?
The IUPAC name of bis(1-methylcyclopropyl) carbonate (CID 88996166) is bis(1-methylcyclopropyl) carbonate.
What is the SMILES notation for bis(1-methylcyclopropyl) carbonate?
The canonical SMILES for bis(1-methylcyclopropyl) carbonate is CC1(OC(=O)OC2(C)CC2)CC1.
What is the InChIKey of bis(1-methylcyclopropyl) carbonate?
The InChIKey is SCAAKHHDRLYICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(3-4-8)11-7(10)12-9(2)5-6-9/h3-6H2,1-2H3.
What are the key properties of bis(1-methylcyclopropyl) carbonate?
bis(1-methylcyclopropyl) carbonate has a molecular weight of 170.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylcyclopropyl) carbonate is sourced from PubChem (CID 88996166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).