(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate

C16H26O5 — CID 154684447

IUPAC(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
SMILESCCC(=O)C1(C)CCC(C(=O)OC2COCC2O)C1(C)C
InChIInChI=1S/C16H26O5/c1-5-13(18)16(4)7-6-10(15(16,2)3)14(19)21-12-9-20-8-11(12)17/h10-12,17H,5-9H2,1-4H3
InChIKeyVBVBQDKZVZRICA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.71
Rot. Bonds4

About (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate

(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate (PubChem CID 154684447) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
PubChem CID154684447
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
SMILESCCC(=O)C1(C)CCC(C(=O)OC2COCC2O)C1(C)C
InChIInChI=1S/C16H26O5/c1-5-13(18)16(4)7-6-10(15(16,2)3)14(19)21-12-9-20-8-11(12)17/h10-12,17H,5-9H2,1-4H3
InChIKeyVBVBQDKZVZRICA-UHFFFAOYSA-N
XLogP1.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-hydroxybutyl (3R)-2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
CID 154684442
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
cis-dimethyl (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 6542164
[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
CID 11137612
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
trans-(1R,3S)-3-[3-[(1S,3R)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]oxypropoxycarbonyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 100933944
cis-3-O-ethyl 1-O-phenyl (1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 7054072
4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
CID 114266661
triethyl-[2-[(1R,3S)-1,2,2-trimethyl-3-[2-(triethylazaniumyl)ethoxycarbonyl]cyclopentanecarbonyl]oxyethyl]azanium dibromide
CID 135121827
(4-hydroxyoxolan-3-yl) hypoiodite
CID 134388200
(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054284

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate?
The IUPAC name of (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate (CID 154684447) is (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate.
What is the SMILES notation for (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate?
The canonical SMILES for (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate is CCC(=O)C1(C)CCC(C(=O)OC2COCC2O)C1(C)C.
What is the InChIKey of (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate?
The InChIKey is VBVBQDKZVZRICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-5-13(18)16(4)7-6-10(15(16,2)3)14(19)21-12-9-20-8-11(12)17/h10-12,17H,5-9H2,1-4H3.
What are the key properties of (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate?
(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate is sourced from PubChem (CID 154684447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).