[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate

C15H26O4 — CID 118968563

IUPAC[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate
SMILESCC(C)(C)CC1COC(=O)C1C(OC=O)C(C)(C)C
InChIInChI=1S/C15H26O4/c1-14(2,3)7-10-8-18-13(17)11(10)12(19-9-16)15(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyHPVRELZFYJODSF-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.80
Rot. Bonds4

About [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate

[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate (PubChem CID 118968563) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate.

Molecular Properties

Compound Name[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate
PubChem CID118968563
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate
SMILESCC(C)(C)CC1COC(=O)C1C(OC=O)C(C)(C)C
InChIInChI=1S/C15H26O4/c1-14(2,3)7-10-8-18-13(17)11(10)12(19-9-16)15(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyHPVRELZFYJODSF-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-3,3-dimethylbutanoic acid
CID 118973516
3-(2-methylpropyl)oxetan-2-one
CID 23090013
3-methyl-4-prop-1-enyloxolan-2-one
CID 123677303
(3S,4S)-4-(2-hydroxypropan-2-yl)-3-propan-2-yloxolan-2-one
CID 10081129
(3S,4R)-3-(2,2-dimethylpropyl)-4-(iodomethyl)oxan-2-one
CID 10902964
[1-(4-diazo-3,5-dioxocyclohexyl)-2-[(4-diazo-3,5-dioxocyclohexyl)-formyloxymethyl]-2-methylbutyl] formate
CID 56993722
(3S,4R)-4-ethyl-5-oxooxolane-3-carbaldehyde
CID 93496206
4-iodo-5-oxooxolane-3-carbaldehyde
CID 166018928
2,2,6,6-tetramethylheptan-4-yl formate
CID 174760926
2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
CID 164791097
3-(2,2-dimethylpropyl)-2-methyloxetane
CID 118284226
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 3,3-dimethylbutanoate
CID 71714075

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate?
The IUPAC name of [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate (CID 118968563) is [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate.
What is the SMILES notation for [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate?
The canonical SMILES for [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate is CC(C)(C)CC1COC(=O)C1C(OC=O)C(C)(C)C.
What is the InChIKey of [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate?
The InChIKey is HPVRELZFYJODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-14(2,3)7-10-8-18-13(17)11(10)12(19-9-16)15(4,5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate?
[1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate has a molecular weight of 270.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-2,2-dimethylpropyl] formate is sourced from PubChem (CID 118968563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).