bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane

C73H146O2 — CID 157257202

IUPACbis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane
SMILESCC(C)C1(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCOCC1.CC(C)C1(C(C)C)COC1
InChIInChI=1S/2C12H24.C11H22O.2C10H20.C9H18O.C9H18/c2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)5-7-12-8-6-11;2*1-8(2)10(9(3)4)6-5-7-10;1-7(2)9(8(3)4)5-10-6-9;1-7(2)9(5-6-9)8(3)4/h2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyAXAJMWNETXWUBZ-UHFFFAOYSA-N
MW1055.97 g/mol
LogP23.92
Rot. Bonds14

About bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane

bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane (PubChem CID 157257202) has the molecular formula C73H146O2 and a molecular weight of 1055.97 g/mol. Its IUPAC name is bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane.

Molecular Properties

Compound Namebis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane
PubChem CID157257202
Molecular FormulaC73H146O2
Molecular Weight1055.97 g/mol
Exact Mass1055.13
IUPAC Namebis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane
SMILESCC(C)C1(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCOCC1.CC(C)C1(C(C)C)COC1
InChIInChI=1S/2C12H24.C11H22O.2C10H20.C9H18O.C9H18/c2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)5-7-12-8-6-11;2*1-8(2)10(9(3)4)6-5-7-10;1-7(2)9(8(3)4)5-10-6-9;1-7(2)9(5-6-9)8(3)4/h2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyAXAJMWNETXWUBZ-UHFFFAOYSA-N
XLogP23.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.97
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-di(propan-2-yl)cyclobutane;1,1-di(propan-2-yl)cyclopentane;2,2-di(propan-2-yl)-1,3-dioxolane;2,2-di(propan-2-yl)oxetane;3,3-di(propan-2-yl)oxetane;2,2-di(propan-2-yl)oxolane;3,3-di(propan-2-yl)oxolane;ethane;methane
CID 158171826
1,1-di(propan-2-yl)cycloheptane
CID 23589303
1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
CID 163492322
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
1,1-difluoro-3,3-di(propan-2-yl)cyclobutane;1,1-difluoro-4,4-di(propan-2-yl)cyclohexane;4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)-4,4-bis(trifluoromethyl)cyclohexane;1,1-di(propan-2-yl)cyclobutane;1,1-di(propan-2-yl)cyclohexane;4,4-di(propan-2-yl)cyclohexene;1,1-di(propan-2-yl)cyclopentane;4,4-di(propan-2-yl)cyclopentene;4,4-di(propan-2-yl)oxane;7,7-di(propan-2-yl)-2-oxaspiro[3.5]nonane;3,3-di(propan-2-yl)oxetane;3,3-di(propan-2-yl)oxolane;1,1-di(propan-2-yl)-4-propan-2-ylidenecyclohexane;7,7-di(propan-2-yl)spiro[3.5]nonane;6,6-di(propan-2-yl)spiro[2.5]octane;4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-1,1-di(propan-2-yl)cyclohexane;4-methylidene-1,1-di(propan-2-yl)cyclohexane
CID 157239748
(2-propan-2-yloxan-2-yl)silane
CID 123630971
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2-methylpropane;oxane
CID 91454058
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
1,1-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,2-di(propan-2-yl)-3H-furan;2,2-di(propan-2-yl)oxane;2,2-di(propan-2-yl)oxolane;methane
CID 160897967

Frequently Asked Questions

What is the IUPAC name of bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane?
The IUPAC name of bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane (CID 157257202) is bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane.
What is the SMILES notation for bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane?
The canonical SMILES for bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane is CC(C)C1(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCOCC1.CC(C)C1(C(C)C)COC1.
What is the InChIKey of bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane?
The InChIKey is AXAJMWNETXWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.C11H22O.2C10H20.C9H18O.C9H18/c2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)5-7-12-8-6-11;2*1-8(2)10(9(3)4)6-5-7-10;1-7(2)9(8(3)4)5-10-6-9;1-7(2)9(5-6-9)8(3)4/h2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane?
bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane has a molecular weight of 1055.97 g/mol, XLogP of 23.92, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane is sourced from PubChem (CID 157257202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).