ethyl 2-methylhexan-2-yl carbonate

C10H20O3 — CID 58109063

IUPACethyl 2-methylhexan-2-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OCC
InChIInChI=1S/C10H20O3/c1-5-7-8-10(3,4)13-9(11)12-6-2/h5-8H2,1-4H3
InChIKeyUJUZYIKBWMYPDO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds5

About ethyl 2-methylhexan-2-yl carbonate

ethyl 2-methylhexan-2-yl carbonate (PubChem CID 58109063) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-methylhexan-2-yl carbonate.

Molecular Properties

Compound Nameethyl 2-methylhexan-2-yl carbonate
PubChem CID58109063
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl 2-methylhexan-2-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OCC
InChIInChI=1S/C10H20O3/c1-5-7-8-10(3,4)13-9(11)12-6-2/h5-8H2,1-4H3
InChIKeyUJUZYIKBWMYPDO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylhexan-2-yl carbonate?
The IUPAC name of ethyl 2-methylhexan-2-yl carbonate (CID 58109063) is ethyl 2-methylhexan-2-yl carbonate.
What is the SMILES notation for ethyl 2-methylhexan-2-yl carbonate?
The canonical SMILES for ethyl 2-methylhexan-2-yl carbonate is CCCCC(C)(C)OC(=O)OCC.
What is the InChIKey of ethyl 2-methylhexan-2-yl carbonate?
The InChIKey is UJUZYIKBWMYPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-7-8-10(3,4)13-9(11)12-6-2/h5-8H2,1-4H3.
What are the key properties of ethyl 2-methylhexan-2-yl carbonate?
ethyl 2-methylhexan-2-yl carbonate has a molecular weight of 188.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylhexan-2-yl carbonate is sourced from PubChem (CID 58109063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).