3,4-di(propan-2-yl)oxolane;2-methylbutane

C15H32O — CID 161401744

IUPAC3,4-di(propan-2-yl)oxolane;2-methylbutane
SMILESCC(C)C1COCC1C(C)C.CCC(C)C
InChIInChI=1S/C10H20O.C5H12/c1-7(2)9-5-11-6-10(9)8(3)4;1-4-5(2)3/h7-10H,5-6H2,1-4H3;5H,4H2,1-3H3
InChIKeyVUIBLLLBARWKNP-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.61
Rot. Bonds3

About 3,4-di(propan-2-yl)oxolane;2-methylbutane

3,4-di(propan-2-yl)oxolane;2-methylbutane (PubChem CID 161401744) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)oxolane;2-methylbutane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)oxolane;2-methylbutane
PubChem CID161401744
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3,4-di(propan-2-yl)oxolane;2-methylbutane
SMILESCC(C)C1COCC1C(C)C.CCC(C)C
InChIInChI=1S/C10H20O.C5H12/c1-7(2)9-5-11-6-10(9)8(3)4;1-4-5(2)3/h7-10H,5-6H2,1-4H3;5H,4H2,1-3H3
InChIKeyVUIBLLLBARWKNP-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
4-butan-2-yloxolan-3-ol
CID 147418216
(3R,4R)-4-ethyl-3-propan-2-yloxane
CID 129093904
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
4-(1-aminopropyl)oxolan-3-ol
CID 55288646
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
bicyclo[1.1.0]butane;ethane;2-methylbutane
CID 142057154
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
CID 159738816
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)oxolane;2-methylbutane?
The IUPAC name of 3,4-di(propan-2-yl)oxolane;2-methylbutane (CID 161401744) is 3,4-di(propan-2-yl)oxolane;2-methylbutane.
What is the SMILES notation for 3,4-di(propan-2-yl)oxolane;2-methylbutane?
The canonical SMILES for 3,4-di(propan-2-yl)oxolane;2-methylbutane is CC(C)C1COCC1C(C)C.CCC(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)oxolane;2-methylbutane?
The InChIKey is VUIBLLLBARWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C5H12/c1-7(2)9-5-11-6-10(9)8(3)4;1-4-5(2)3/h7-10H,5-6H2,1-4H3;5H,4H2,1-3H3.
What are the key properties of 3,4-di(propan-2-yl)oxolane;2-methylbutane?
3,4-di(propan-2-yl)oxolane;2-methylbutane has a molecular weight of 228.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)oxolane;2-methylbutane is sourced from PubChem (CID 161401744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).