butyl 3-methoxypropyl carbonate

C9H18O4 — CID 87247582

IUPACbutyl 3-methoxypropyl carbonate
SMILESCCCCOC(=O)OCCCOC
InChIInChI=1S/C9H18O4/c1-3-4-7-12-9(10)13-8-5-6-11-2/h3-8H2,1-2H3
InChIKeyOOVACMQSNRKWTL-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.98
Rot. Bonds7

About butyl 3-methoxypropyl carbonate

butyl 3-methoxypropyl carbonate (PubChem CID 87247582) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is butyl 3-methoxypropyl carbonate.

Molecular Properties

Compound Namebutyl 3-methoxypropyl carbonate
PubChem CID87247582
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namebutyl 3-methoxypropyl carbonate
SMILESCCCCOC(=O)OCCCOC
InChIInChI=1S/C9H18O4/c1-3-4-7-12-9(10)13-8-5-6-11-2/h3-8H2,1-2H3
InChIKeyOOVACMQSNRKWTL-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.98
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 2-methoxyethyl carbonate;hydrochloride
CID 169424294
3-butoxypropyl butyl carbonate
CID 87247588
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl pentyl carbonate
CID 545576
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503

Frequently Asked Questions

What is the IUPAC name of butyl 3-methoxypropyl carbonate?
The IUPAC name of butyl 3-methoxypropyl carbonate (CID 87247582) is butyl 3-methoxypropyl carbonate.
What is the SMILES notation for butyl 3-methoxypropyl carbonate?
The canonical SMILES for butyl 3-methoxypropyl carbonate is CCCCOC(=O)OCCCOC.
What is the InChIKey of butyl 3-methoxypropyl carbonate?
The InChIKey is OOVACMQSNRKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-4-7-12-9(10)13-8-5-6-11-2/h3-8H2,1-2H3.
What are the key properties of butyl 3-methoxypropyl carbonate?
butyl 3-methoxypropyl carbonate has a molecular weight of 190.24 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-methoxypropyl carbonate is sourced from PubChem (CID 87247582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).