2,2-dimethyladamantane;ethane

C14H26 — CID 91483373

IUPAC2,2-dimethyladamantane;ethane
SMILESCC.CC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20.C2H6/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyPDGYUJSMCVVPCE-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds

About 2,2-dimethyladamantane;ethane

2,2-dimethyladamantane;ethane (PubChem CID 91483373) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,2-dimethyladamantane;ethane.

Molecular Properties

Compound Name2,2-dimethyladamantane;ethane
PubChem CID91483373
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,2-dimethyladamantane;ethane
SMILESCC.CC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20.C2H6/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyPDGYUJSMCVVPCE-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

adamantane;ethane
CID 90892828
bis(2-methyl-2-adamantyl)diazene
CID 134985564
adamantane;ethane;methane
CID 157076952
1,4,4-trimethyladamantane
CID 123338227
2-ethyl-2-methyladamantane
CID 21349236
2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
CID 160775721
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
2'-methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
adamantane;1-methyladamantane
CID 53425859
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyladamantane;ethane?
The IUPAC name of 2,2-dimethyladamantane;ethane (CID 91483373) is 2,2-dimethyladamantane;ethane.
What is the SMILES notation for 2,2-dimethyladamantane;ethane?
The canonical SMILES for 2,2-dimethyladamantane;ethane is CC.CC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,2-dimethyladamantane;ethane?
The InChIKey is PDGYUJSMCVVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C2H6/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-2/h8-11H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethyladamantane;ethane?
2,2-dimethyladamantane;ethane has a molecular weight of 194.36 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyladamantane;ethane is sourced from PubChem (CID 91483373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).