propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate

C16H30O4 — CID 158607220

IUPACpropan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate
SMILESCC(C)OC(=O)C(CCC(C)(C)C)OC1CCOCC1
InChIInChI=1S/C16H30O4/c1-12(2)19-15(17)14(6-9-16(3,4)5)20-13-7-10-18-11-8-13/h12-14H,6-11H2,1-5H3
InChIKeyQNESKYCBUCMBCZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.33
Rot. Bonds6

About propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate

propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate (PubChem CID 158607220) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate.

Molecular Properties

Compound Namepropan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate
PubChem CID158607220
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namepropan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate
SMILESCC(C)OC(=O)C(CCC(C)(C)C)OC1CCOCC1
InChIInChI=1S/C16H30O4/c1-12(2)19-15(17)14(6-9-16(3,4)5)20-13-7-10-18-11-8-13/h12-14H,6-11H2,1-5H3
InChIKeyQNESKYCBUCMBCZ-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate 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

ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172
2-(oxan-4-yloxy)pentan-3-one
CID 64867602
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
oxan-4-yl 2-(dimethylamino)-3-methylbutanoate
CID 170248516
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373
tert-butyl 2-(oxan-4-ylsulfanyl)propanoate
CID 66338662
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate?
The IUPAC name of propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate (CID 158607220) is propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate.
What is the SMILES notation for propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate?
The canonical SMILES for propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate is CC(C)OC(=O)C(CCC(C)(C)C)OC1CCOCC1.
What is the InChIKey of propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate?
The InChIKey is QNESKYCBUCMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-12(2)19-15(17)14(6-9-16(3,4)5)20-13-7-10-18-11-8-13/h12-14H,6-11H2,1-5H3.
What are the key properties of propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate?
propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate has a molecular weight of 286.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate is sourced from PubChem (CID 158607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).