2-ethyl-2-methyladamantane

C13H22 — CID 21349236

IUPAC2-ethyl-2-methyladamantane
SMILESCCC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3
InChIKeySQIYNUCQDPTVQP-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds1

About 2-ethyl-2-methyladamantane

2-ethyl-2-methyladamantane (PubChem CID 21349236) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-ethyl-2-methyladamantane.

Molecular Properties

Compound Name2-ethyl-2-methyladamantane
PubChem CID21349236
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-ethyl-2-methyladamantane
SMILESCCC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3
InChIKeySQIYNUCQDPTVQP-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
CID 160775721
2,2-dimethyladamantane;ethane
CID 91483373
magnesium;2-ethyladamantan-2-olate;chloride
CID 141311408
bis(2-methyl-2-adamantyl)diazene
CID 134985564
2-ethyladamantane-2-carboxylic acid
CID 18547676
2'-methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane
CID 139963498
N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
CID 163518738
4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
CID 155930629
(2-methyl-2-adamantyl)methoxymethyl 2-iodobutanoate
CID 129168313
(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143011520
2,2-diethyladamantan-1-ol
CID 22670607

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyladamantane?
The IUPAC name of 2-ethyl-2-methyladamantane (CID 21349236) is 2-ethyl-2-methyladamantane.
What is the SMILES notation for 2-ethyl-2-methyladamantane?
The canonical SMILES for 2-ethyl-2-methyladamantane is CCC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethyl-2-methyladamantane?
The InChIKey is SQIYNUCQDPTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyladamantane?
2-ethyl-2-methyladamantane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyladamantane is sourced from PubChem (CID 21349236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).