2-(2-butoxyethoxy)ethyl hexyl carbonate

C15H30O5 — CID 87247659

IUPAC2-(2-butoxyethoxy)ethyl hexyl carbonate
SMILESCCCCCCOC(=O)OCCOCCOCCCC
InChIInChI=1S/C15H30O5/c1-3-5-7-8-10-19-15(16)20-14-13-18-12-11-17-9-6-4-2/h3-14H2,1-2H3
InChIKeyMYDKHRBHGUUOAO-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.55
Rot. Bonds14

About 2-(2-butoxyethoxy)ethyl hexyl carbonate

2-(2-butoxyethoxy)ethyl hexyl carbonate (PubChem CID 87247659) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl hexyl carbonate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl hexyl carbonate
PubChem CID87247659
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-(2-butoxyethoxy)ethyl hexyl carbonate
SMILESCCCCCCOC(=O)OCCOCCOCCCC
InChIInChI=1S/C15H30O5/c1-3-5-7-8-10-19-15(16)20-14-13-18-12-11-17-9-6-4-2/h3-14H2,1-2H3
InChIKeyMYDKHRBHGUUOAO-UHFFFAOYSA-N
XLogP3.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butoxypropyl butyl carbonate
CID 87247588
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
butyl pentyl carbonate
CID 545576
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-decoxyethoxy)ethyl acetate
CID 526732
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl hexyl carbonate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl hexyl carbonate (CID 87247659) is 2-(2-butoxyethoxy)ethyl hexyl carbonate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl hexyl carbonate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl hexyl carbonate is CCCCCCOC(=O)OCCOCCOCCCC.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl hexyl carbonate?
The InChIKey is MYDKHRBHGUUOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-3-5-7-8-10-19-15(16)20-14-13-18-12-11-17-9-6-4-2/h3-14H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl hexyl carbonate?
2-(2-butoxyethoxy)ethyl hexyl carbonate has a molecular weight of 290.40 g/mol, XLogP of 3.55, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl hexyl carbonate is sourced from PubChem (CID 87247659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).