2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane

C55H102 — CID 160775721

IUPAC2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
SMILESCC1(C)C2CC3CC(C2)CC1C3.CC1(C)CCCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC1(C)CCCCC1.CCC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22.C12H20.2C8H16.2C7H14/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;2*1-8(2)6-4-3-5-7-8;2*1-7(2)5-3-4-6-7/h9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-7H2,1-2H3;2*3-6H2,1-2H3
InChIKeyRZXMHMZSUOQMIM-UHFFFAOYSA-N
MW763.42 g/mol
LogP18.45
Rot. Bonds1

About 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane

2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane (PubChem CID 160775721) has the molecular formula C55H102 and a molecular weight of 763.42 g/mol. Its IUPAC name is 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane.

Molecular Properties

Compound Name2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
PubChem CID160775721
Molecular FormulaC55H102
Molecular Weight763.42 g/mol
Exact Mass762.80
IUPAC Name2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
SMILESCC1(C)C2CC3CC(C2)CC1C3.CC1(C)CCCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC1(C)CCCCC1.CCC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22.C12H20.2C8H16.2C7H14/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;2*1-8(2)6-4-3-5-7-8;2*1-7(2)5-3-4-6-7/h9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-7H2,1-2H3;2*3-6H2,1-2H3
InChIKeyRZXMHMZSUOQMIM-UHFFFAOYSA-N
XLogP18.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.42
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane with MolForge

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Related Compounds

2-ethyl-2-methyladamantane
CID 21349236
2,2-dimethyladamantane;ethane
CID 91483373
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1-tert-butyladamantane;tert-butylcyclopentane;2,2-dimethyladamantane;1,1-dimethylcyclopentane
CID 158115985
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane?
The IUPAC name of 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane (CID 160775721) is 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane.
What is the SMILES notation for 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane?
The canonical SMILES for 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane is CC1(C)C2CC3CC(C2)CC1C3.CC1(C)CCCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC1(C)CCCCC1.CCC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane?
The InChIKey is RZXMHMZSUOQMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.C12H20.2C8H16.2C7H14/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;2*1-8(2)6-4-3-5-7-8;2*1-7(2)5-3-4-6-7/h9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-7H2,1-2H3;2*3-6H2,1-2H3.
What are the key properties of 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane?
2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane has a molecular weight of 763.42 g/mol, XLogP of 18.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane is sourced from PubChem (CID 160775721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).