2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate

C15H30O6 — CID 87247535

IUPAC2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate
SMILESCCCCOC(CC)COC(C)COC(=O)OCCOC
InChIInChI=1S/C15H30O6/c1-5-7-8-18-14(6-2)12-20-13(3)11-21-15(16)19-10-9-17-4/h13-14H,5-12H2,1-4H3
InChIKeyYPUHTJHODUCQBY-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.79
Rot. Bonds13

About 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate

2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate (PubChem CID 87247535) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Name2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate
PubChem CID87247535
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate
SMILESCCCCOC(CC)COC(C)COC(=O)OCCOC
InChIInChI=1S/C15H30O6/c1-5-7-8-18-14(6-2)12-20-13(3)11-21-15(16)19-10-9-17-4/h13-14H,5-12H2,1-4H3
InChIKeyYPUHTJHODUCQBY-UHFFFAOYSA-N
XLogP2.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methoxypropyl carbonate
CID 87247456
2-[1,3-bis[1-(2-ethylhexoxycarbonyloxy)propan-2-yloxy]propan-2-yloxy]propyl 2-ethylhexyl carbonate
CID 59502807
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
butyl 2-(2-methoxybutoxy)ethyl carbonate
CID 87248025
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
3-butoxybutyl ethyl carbonate
CID 87247604
butyl 3-methoxypropyl carbonate
CID 87247582
butyl 3-methoxybutyl carbonate
CID 87247600
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
CID 58422665
2-methylpropyl pentyl carbonate;propane
CID 159689865

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate?
The IUPAC name of 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate (CID 87247535) is 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate.
What is the SMILES notation for 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate?
The canonical SMILES for 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate is CCCCOC(CC)COC(C)COC(=O)OCCOC.
What is the InChIKey of 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate?
The InChIKey is YPUHTJHODUCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-5-7-8-18-14(6-2)12-20-13(3)11-21-15(16)19-10-9-17-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate?
2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate has a molecular weight of 306.40 g/mol, XLogP of 2.79, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxybutoxy)propyl 2-methoxyethyl carbonate is sourced from PubChem (CID 87247535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).