butyl 3-ethoxybutan-2-yl carbonate

C11H22O4 — CID 87247453

IUPACbutyl 3-ethoxybutan-2-yl carbonate
SMILESCCCCOC(=O)OC(C)C(C)OCC
InChIInChI=1S/C11H22O4/c1-5-7-8-14-11(12)15-10(4)9(3)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeySRVFWSKSLKHANC-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.75
Rot. Bonds7

About butyl 3-ethoxybutan-2-yl carbonate

butyl 3-ethoxybutan-2-yl carbonate (PubChem CID 87247453) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is butyl 3-ethoxybutan-2-yl carbonate.

Molecular Properties

Compound Namebutyl 3-ethoxybutan-2-yl carbonate
PubChem CID87247453
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namebutyl 3-ethoxybutan-2-yl carbonate
SMILESCCCCOC(=O)OC(C)C(C)OCC
InChIInChI=1S/C11H22O4/c1-5-7-8-14-11(12)15-10(4)9(3)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeySRVFWSKSLKHANC-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.75
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

dodecyl 3-methylbutan-2-yl carbonate
CID 58052212
butyl pentan-3-yl carbonate
CID 155213116
bis(3-ethoxyheptan-2-yl) carbonate
CID 87841190
ethyl 2-(1-ethoxycarbonyloxyethyl)hexanoate
CID 134283844
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
heptyl 2-ethoxypropanoate
CID 175702782
3-butoxybutyl ethyl carbonate
CID 87247604
butyl pentyl carbonate
CID 545576
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butan-2-yl nonyl carbonate
CID 135224877
butyl 3-methoxybutyl carbonate
CID 87247600

Frequently Asked Questions

What is the IUPAC name of butyl 3-ethoxybutan-2-yl carbonate?
The IUPAC name of butyl 3-ethoxybutan-2-yl carbonate (CID 87247453) is butyl 3-ethoxybutan-2-yl carbonate.
What is the SMILES notation for butyl 3-ethoxybutan-2-yl carbonate?
The canonical SMILES for butyl 3-ethoxybutan-2-yl carbonate is CCCCOC(=O)OC(C)C(C)OCC.
What is the InChIKey of butyl 3-ethoxybutan-2-yl carbonate?
The InChIKey is SRVFWSKSLKHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-7-8-14-11(12)15-10(4)9(3)13-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of butyl 3-ethoxybutan-2-yl carbonate?
butyl 3-ethoxybutan-2-yl carbonate has a molecular weight of 218.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-ethoxybutan-2-yl carbonate is sourced from PubChem (CID 87247453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).