ethyl 1-methoxypentan-3-yl carbonate

C9H18O4 — CID 155575061

IUPACethyl 1-methoxypentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)CCOC
InChIInChI=1S/C9H18O4/c1-4-8(6-7-11-3)13-9(10)12-5-2/h8H,4-7H2,1-3H3
InChIKeyFIXPRNMHCUVJPS-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.97
Rot. Bonds6

About ethyl 1-methoxypentan-3-yl carbonate

ethyl 1-methoxypentan-3-yl carbonate (PubChem CID 155575061) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 1-methoxypentan-3-yl carbonate.

Molecular Properties

Compound Nameethyl 1-methoxypentan-3-yl carbonate
PubChem CID155575061
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethyl 1-methoxypentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)CCOC
InChIInChI=1S/C9H18O4/c1-4-8(6-7-11-3)13-9(10)12-5-2/h8H,4-7H2,1-3H3
InChIKeyFIXPRNMHCUVJPS-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxypentan-3-yl carbonate?
The IUPAC name of ethyl 1-methoxypentan-3-yl carbonate (CID 155575061) is ethyl 1-methoxypentan-3-yl carbonate.
What is the SMILES notation for ethyl 1-methoxypentan-3-yl carbonate?
The canonical SMILES for ethyl 1-methoxypentan-3-yl carbonate is CCOC(=O)OC(CC)CCOC.
What is the InChIKey of ethyl 1-methoxypentan-3-yl carbonate?
The InChIKey is FIXPRNMHCUVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-8(6-7-11-3)13-9(10)12-5-2/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 1-methoxypentan-3-yl carbonate?
ethyl 1-methoxypentan-3-yl carbonate has a molecular weight of 190.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxypentan-3-yl carbonate is sourced from PubChem (CID 155575061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).