ethane;2-methyladamantane

C13H24 — CID 90765849

IUPACethane;2-methyladamantane
SMILESCC.CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18.C2H6/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2/h7-11H,2-6H2,1H3;1-2H3
InChIKeyMRBPXFQGXJJCOT-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds

About ethane;2-methyladamantane

ethane;2-methyladamantane (PubChem CID 90765849) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;2-methyladamantane.

Molecular Properties

Compound Nameethane;2-methyladamantane
PubChem CID90765849
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;2-methyladamantane
SMILESCC.CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18.C2H6/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2/h7-11H,2-6H2,1H3;1-2H3
InChIKeyMRBPXFQGXJJCOT-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
CID 144841146
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
methoxyethane;2-methyladamantane
CID 174817324
(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
adamantane;ethane
CID 90892828
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
adamantane;ethane;methane
CID 157076952
acetylene;(1S,5R)-3,6-dimethylbicyclo[3.1.1]heptane;ethane
CID 143170013
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
ethane;2-ethyladamantane
CID 91302679
4-methyladamantan-2-ol
CID 590471
7-chloro-2,3-dimethylbicyclo[3.3.1]nonane
CID 130192142

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyladamantane?
The IUPAC name of ethane;2-methyladamantane (CID 90765849) is ethane;2-methyladamantane.
What is the SMILES notation for ethane;2-methyladamantane?
The canonical SMILES for ethane;2-methyladamantane is CC.CC1C2CC3CC(C2)CC1C3.
What is the InChIKey of ethane;2-methyladamantane?
The InChIKey is MRBPXFQGXJJCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2/h7-11H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyladamantane?
ethane;2-methyladamantane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyladamantane is sourced from PubChem (CID 90765849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).