methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate

C10H16O3 — CID 134309639

IUPACmethyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
SMILESCOC(=O)OC1(C)CC2CCC1C2
InChIInChI=1S/C10H16O3/c1-10(13-9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3
InChIKeyKZFGZUOHEUNYJB-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.35
Rot. Bonds1

About methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate

methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate (PubChem CID 134309639) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate.

Molecular Properties

Compound Namemethyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
PubChem CID134309639
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
SMILESCOC(=O)OC1(C)CC2CCC1C2
InChIInChI=1S/C10H16O3/c1-10(13-9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3
InChIKeyKZFGZUOHEUNYJB-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate?
The IUPAC name of methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate (CID 134309639) is methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate.
What is the SMILES notation for methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate?
The canonical SMILES for methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate is COC(=O)OC1(C)CC2CCC1C2.
What is the InChIKey of methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate?
The InChIKey is KZFGZUOHEUNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(13-9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate?
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate is sourced from PubChem (CID 134309639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).