3-(3-methylbutan-2-yl)oxolane

C9H18O — CID 123661278

IUPAC3-(3-methylbutan-2-yl)oxolane
SMILESCC(C)C(C)C1CCOC1
InChIInChI=1S/C9H18O/c1-7(2)8(3)9-4-5-10-6-9/h7-9H,4-6H2,1-3H3
InChIKeyGNRXSZVAZRIKRB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.32
Rot. Bonds2

About 3-(3-methylbutan-2-yl)oxolane

3-(3-methylbutan-2-yl)oxolane (PubChem CID 123661278) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)oxolane.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)oxolane
PubChem CID123661278
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-(3-methylbutan-2-yl)oxolane
SMILESCC(C)C(C)C1CCOC1
InChIInChI=1S/C9H18O/c1-7(2)8(3)9-4-5-10-6-9/h7-9H,4-6H2,1-3H3
InChIKeyGNRXSZVAZRIKRB-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-butan-2-yloxolane;ethane
CID 143988733
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane
CID 58499108
3-(1-ethoxyethyl)oxolane
CID 11788363
12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
CID 14205920

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)oxolane?
The IUPAC name of 3-(3-methylbutan-2-yl)oxolane (CID 123661278) is 3-(3-methylbutan-2-yl)oxolane.
What is the SMILES notation for 3-(3-methylbutan-2-yl)oxolane?
The canonical SMILES for 3-(3-methylbutan-2-yl)oxolane is CC(C)C(C)C1CCOC1.
What is the InChIKey of 3-(3-methylbutan-2-yl)oxolane?
The InChIKey is GNRXSZVAZRIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8(3)9-4-5-10-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yl)oxolane?
3-(3-methylbutan-2-yl)oxolane has a molecular weight of 142.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)oxolane is sourced from PubChem (CID 123661278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).