1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane

C24H48O — CID 163492322

IUPAC1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
SMILESCC(C)C1(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCOC1
InChIInChI=1S/C10H20.C7H14O.C7H14/c1-8(2)10(9(3)4)6-5-7-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h8-9H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyCNSNHBFPHSLSPM-UHFFFAOYSA-N
MW352.65 g/mol
LogP7.59
Rot. Bonds4

About 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane

1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane (PubChem CID 163492322) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane.

Molecular Properties

Compound Name1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
PubChem CID163492322
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
SMILESCC(C)C1(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCOC1
InChIInChI=1S/C10H20.C7H14O.C7H14/c1-8(2)10(9(3)4)6-5-7-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h8-9H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyCNSNHBFPHSLSPM-UHFFFAOYSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
ethane;3-propan-2-yloxane
CID 143985480
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane?
The IUPAC name of 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane (CID 163492322) is 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane.
What is the SMILES notation for 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane?
The canonical SMILES for 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane is CC(C)C1(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCOC1.
What is the InChIKey of 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane?
The InChIKey is CNSNHBFPHSLSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C7H14O.C7H14/c1-8(2)10(9(3)4)6-5-7-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h8-9H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane?
1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane has a molecular weight of 352.65 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane is sourced from PubChem (CID 163492322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).