butyl 2-methoxyethyl carbonate;hydrochloride

C8H17ClO4 — CID 169424294

IUPACbutyl 2-methoxyethyl carbonate;hydrochloride
SMILESCCCCOC(=O)OCCOC.Cl
InChIInChI=1S/C8H16O4.ClH/c1-3-4-5-11-8(9)12-7-6-10-2;/h3-7H2,1-2H3;1H
InChIKeySWWGIGFVSXJVOI-UHFFFAOYSA-N
MW212.67 g/mol
LogP2.01
Rot. Bonds6

About butyl 2-methoxyethyl carbonate;hydrochloride

butyl 2-methoxyethyl carbonate;hydrochloride (PubChem CID 169424294) has the molecular formula C8H17ClO4 and a molecular weight of 212.67 g/mol. Its IUPAC name is butyl 2-methoxyethyl carbonate;hydrochloride.

Molecular Properties

Compound Namebutyl 2-methoxyethyl carbonate;hydrochloride
PubChem CID169424294
Molecular FormulaC8H17ClO4
Molecular Weight212.67 g/mol
Exact Mass212.08
IUPAC Namebutyl 2-methoxyethyl carbonate;hydrochloride
SMILESCCCCOC(=O)OCCOC.Cl
InChIInChI=1S/C8H16O4.ClH/c1-3-4-5-11-8(9)12-7-6-10-2;/h3-7H2,1-2H3;1H
InChIKeySWWGIGFVSXJVOI-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 52.01
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-methoxypropyl carbonate
CID 87247582
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
butyl pentyl carbonate
CID 545576
3-butoxypropyl butyl carbonate
CID 87247588
1-O-butyl 4-O-(2-methoxyethyl) (Z)-but-2-enedioate
CID 87125961
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
dioctyl carbonate
CID 174882674
heptyl octyl carbonate
CID 21498015

Frequently Asked Questions

What is the IUPAC name of butyl 2-methoxyethyl carbonate;hydrochloride?
The IUPAC name of butyl 2-methoxyethyl carbonate;hydrochloride (CID 169424294) is butyl 2-methoxyethyl carbonate;hydrochloride.
What is the SMILES notation for butyl 2-methoxyethyl carbonate;hydrochloride?
The canonical SMILES for butyl 2-methoxyethyl carbonate;hydrochloride is CCCCOC(=O)OCCOC.Cl.
What is the InChIKey of butyl 2-methoxyethyl carbonate;hydrochloride?
The InChIKey is SWWGIGFVSXJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.ClH/c1-3-4-5-11-8(9)12-7-6-10-2;/h3-7H2,1-2H3;1H.
What are the key properties of butyl 2-methoxyethyl carbonate;hydrochloride?
butyl 2-methoxyethyl carbonate;hydrochloride has a molecular weight of 212.67 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methoxyethyl carbonate;hydrochloride is sourced from PubChem (CID 169424294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).