methyl 2,3,4-trimethylpentan-3-yl carbonate

C10H20O3 — CID 87747556

IUPACmethyl 2,3,4-trimethylpentan-3-yl carbonate
SMILESCOC(=O)OC(C)(C(C)C)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(5,8(3)4)13-9(11)12-6/h7-8H,1-6H3
InChIKeyJYCMXXPRQUTNPF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.84
Rot. Bonds3

About methyl 2,3,4-trimethylpentan-3-yl carbonate

methyl 2,3,4-trimethylpentan-3-yl carbonate (PubChem CID 87747556) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 2,3,4-trimethylpentan-3-yl carbonate.

Molecular Properties

Compound Namemethyl 2,3,4-trimethylpentan-3-yl carbonate
PubChem CID87747556
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 2,3,4-trimethylpentan-3-yl carbonate
SMILESCOC(=O)OC(C)(C(C)C)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(5,8(3)4)13-9(11)12-6/h7-8H,1-6H3
InChIKeyJYCMXXPRQUTNPF-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3,4-trimethylpentan-3-yl carbonate?
The IUPAC name of methyl 2,3,4-trimethylpentan-3-yl carbonate (CID 87747556) is methyl 2,3,4-trimethylpentan-3-yl carbonate.
What is the SMILES notation for methyl 2,3,4-trimethylpentan-3-yl carbonate?
The canonical SMILES for methyl 2,3,4-trimethylpentan-3-yl carbonate is COC(=O)OC(C)(C(C)C)C(C)C.
What is the InChIKey of methyl 2,3,4-trimethylpentan-3-yl carbonate?
The InChIKey is JYCMXXPRQUTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)10(5,8(3)4)13-9(11)12-6/h7-8H,1-6H3.
What are the key properties of methyl 2,3,4-trimethylpentan-3-yl carbonate?
methyl 2,3,4-trimethylpentan-3-yl carbonate has a molecular weight of 188.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,4-trimethylpentan-3-yl carbonate is sourced from PubChem (CID 87747556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).