oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate

C14H24O3 — CID 134267043

IUPACoxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate
SMILESCC(C)CC1(C(=O)OC2CCOC2)CCC1C
InChIInChI=1S/C14H24O3/c1-10(2)8-14(6-4-11(14)3)13(15)17-12-5-7-16-9-12/h10-12H,4-9H2,1-3H3
InChIKeyIPTXUUQVDHAELZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.78
Rot. Bonds4

About oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate

oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate (PubChem CID 134267043) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate
PubChem CID134267043
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameoxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate
SMILESCC(C)CC1(C(=O)OC2CCOC2)CCC1C
InChIInChI=1S/C14H24O3/c1-10(2)8-14(6-4-11(14)3)13(15)17-12-5-7-16-9-12/h10-12H,4-9H2,1-3H3
InChIKeyIPTXUUQVDHAELZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate?
The IUPAC name of oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate (CID 134267043) is oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate?
The canonical SMILES for oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate is CC(C)CC1(C(=O)OC2CCOC2)CCC1C.
What is the InChIKey of oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate?
The InChIKey is IPTXUUQVDHAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(2)8-14(6-4-11(14)3)13(15)17-12-5-7-16-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate?
oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 134267043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).