butyl 2-methoxypropyl carbonate

C9H18O4 — CID 87247456

IUPACbutyl 2-methoxypropyl carbonate
SMILESCCCCOC(=O)OCC(C)OC
InChIInChI=1S/C9H18O4/c1-4-5-6-12-9(10)13-7-8(2)11-3/h8H,4-7H2,1-3H3
InChIKeyWDPMWSLXTJQSOK-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.97
Rot. Bonds6

About butyl 2-methoxypropyl carbonate

butyl 2-methoxypropyl carbonate (PubChem CID 87247456) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is butyl 2-methoxypropyl carbonate.

Molecular Properties

Compound Namebutyl 2-methoxypropyl carbonate
PubChem CID87247456
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namebutyl 2-methoxypropyl carbonate
SMILESCCCCOC(=O)OCC(C)OC
InChIInChI=1S/C9H18O4/c1-4-5-6-12-9(10)13-7-8(2)11-3/h8H,4-7H2,1-3H3
InChIKeyWDPMWSLXTJQSOK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-methoxybutyl carbonate
CID 87247600
2-methylpropyl pentyl carbonate;propane
CID 159689865
ethanol;2-methylpropyl pentyl carbonate
CID 174542240
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
butyl 3-methoxypropyl carbonate
CID 87247582
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
butyl 2-(2-methoxybutoxy)ethyl carbonate
CID 87248025
2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate
CID 87247535
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700

Frequently Asked Questions

What is the IUPAC name of butyl 2-methoxypropyl carbonate?
The IUPAC name of butyl 2-methoxypropyl carbonate (CID 87247456) is butyl 2-methoxypropyl carbonate.
What is the SMILES notation for butyl 2-methoxypropyl carbonate?
The canonical SMILES for butyl 2-methoxypropyl carbonate is CCCCOC(=O)OCC(C)OC.
What is the InChIKey of butyl 2-methoxypropyl carbonate?
The InChIKey is WDPMWSLXTJQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-5-6-12-9(10)13-7-8(2)11-3/h8H,4-7H2,1-3H3.
What are the key properties of butyl 2-methoxypropyl carbonate?
butyl 2-methoxypropyl 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 butyl 2-methoxypropyl carbonate is sourced from PubChem (CID 87247456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).