3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane

C12H24O2 — CID 58499108

IUPAC3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane
SMILESCC(C)OCC(C(C)C)C1CCOC1
InChIInChI=1S/C12H24O2/c1-9(2)12(8-14-10(3)4)11-5-6-13-7-11/h9-12H,5-8H2,1-4H3
InChIKeyVZFNWSXHRXCSMH-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.72
Rot. Bonds5

About 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane

3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane (PubChem CID 58499108) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane.

Molecular Properties

Compound Name3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane
PubChem CID58499108
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane
SMILESCC(C)OCC(C(C)C)C1CCOC1
InChIInChI=1S/C12H24O2/c1-9(2)12(8-14-10(3)4)11-5-6-13-7-11/h9-12H,5-8H2,1-4H3
InChIKeyVZFNWSXHRXCSMH-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane 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

3-(1-ethoxyethyl)oxolane
CID 11788363
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
4-amino-3-(oxolan-3-yl)pentan-1-ol
CID 66091697
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
3-butan-2-yloxolane;ethane
CID 143988733
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane?
The IUPAC name of 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane (CID 58499108) is 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane.
What is the SMILES notation for 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane?
The canonical SMILES for 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane is CC(C)OCC(C(C)C)C1CCOC1.
What is the InChIKey of 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane?
The InChIKey is VZFNWSXHRXCSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)12(8-14-10(3)4)11-5-6-13-7-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane?
3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane has a molecular weight of 200.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane is sourced from PubChem (CID 58499108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).