butyl 2-methylbutan-2-yloxy carbonate

C10H20O4 — CID 22927517

IUPACbutyl 2-methylbutan-2-yloxy carbonate
SMILESCCCCOC(=O)OOC(C)(C)CC
InChIInChI=1S/C10H20O4/c1-5-7-8-12-9(11)13-14-10(3,4)6-2/h5-8H2,1-4H3
InChIKeyBYKTVGKHCAGMAI-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.06
Rot. Bonds6

About butyl 2-methylbutan-2-yloxy carbonate

butyl 2-methylbutan-2-yloxy carbonate (PubChem CID 22927517) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is butyl 2-methylbutan-2-yloxy carbonate.

Molecular Properties

Compound Namebutyl 2-methylbutan-2-yloxy carbonate
PubChem CID22927517
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namebutyl 2-methylbutan-2-yloxy carbonate
SMILESCCCCOC(=O)OOC(C)(C)CC
InChIInChI=1S/C10H20O4/c1-5-7-8-12-9(11)13-14-10(3,4)6-2/h5-8H2,1-4H3
InChIKeyBYKTVGKHCAGMAI-UHFFFAOYSA-N
XLogP3.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-methylbutan-2-yloxy carbonate?
The IUPAC name of butyl 2-methylbutan-2-yloxy carbonate (CID 22927517) is butyl 2-methylbutan-2-yloxy carbonate.
What is the SMILES notation for butyl 2-methylbutan-2-yloxy carbonate?
The canonical SMILES for butyl 2-methylbutan-2-yloxy carbonate is CCCCOC(=O)OOC(C)(C)CC.
What is the InChIKey of butyl 2-methylbutan-2-yloxy carbonate?
The InChIKey is BYKTVGKHCAGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-7-8-12-9(11)13-14-10(3,4)6-2/h5-8H2,1-4H3.
What are the key properties of butyl 2-methylbutan-2-yloxy carbonate?
butyl 2-methylbutan-2-yloxy carbonate has a molecular weight of 204.27 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylbutan-2-yloxy carbonate is sourced from PubChem (CID 22927517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).