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

C55H110O3 — CID 160897967

IUPAC1,1-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
SMILESC.CC(C)C1(C(C)C)CC=CO1.CC(C)C1(C(C)C)CCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCO1.CC(C)C1(C(C)C)CCCO1
InChIInChI=1S/C12H24.C11H22O.C11H22.C10H20O.C10H18O.CH4/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-12-11;1-9(2)11(10(3)4)7-5-6-8-11;2*1-8(2)10(9(3)4)6-5-7-11-10;/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;1H4
InChIKeySPCWXQHQRKAZIF-UHFFFAOYSA-N
MW819.48 g/mol
LogP17.80
Rot. Bonds10

About 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

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 (PubChem CID 160897967) has the molecular formula C55H110O3 and a molecular weight of 819.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID160897967
Molecular FormulaC55H110O3
Molecular Weight819.48 g/mol
Exact Mass818.85
IUPAC Name1,1-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
SMILESC.CC(C)C1(C(C)C)CC=CO1.CC(C)C1(C(C)C)CCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCO1.CC(C)C1(C(C)C)CCCO1
InChIInChI=1S/C12H24.C11H22O.C11H22.C10H20O.C10H18O.CH4/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-12-11;1-9(2)11(10(3)4)7-5-6-8-11;2*1-8(2)10(9(3)4)6-5-7-11-10;/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;1H4
InChIKeySPCWXQHQRKAZIF-UHFFFAOYSA-N
XLogP17.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.48
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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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
(5S)-1,10-dioxaspiro[4.5]dec-2-ene
CID 44551304
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
(2R)-2-methyl-2-propan-2-yl-3H-furan
CID 156838781
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
(2-propan-2-yloxan-2-yl)silane
CID 123630971
N-methyl-2-propan-2-yloxolan-2-amine
CID 129253731
2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid
CID 70180199
1-oxaspiro[4.5]deca-6,8-diene
CID 101238617
(2-propan-2-yloxolan-2-yl)methanol
CID 130663266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)C1(C(C)C)CC=CO1.CC(C)C1(C(C)C)CCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCO1.CC(C)C1(C(C)C)CCCO1.
What is the InChIKey of 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?
The InChIKey is SPCWXQHQRKAZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C11H22O.C11H22.C10H20O.C10H18O.CH4/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-12-11;1-9(2)11(10(3)4)7-5-6-8-11;2*1-8(2)10(9(3)4)6-5-7-11-10;/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 819.48 g/mol, XLogP of 17.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160897967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).