ethane;2-ethyladamantane

C18H38 — CID 91302679

IUPACethane;2-ethyladamantane
SMILESCC.CC.CC.CCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20.3C2H6/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;3*1-2/h8-12H,2-7H2,1H3;3*1-2H3
InChIKeyWLUPGMWDVQBQSC-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds1

About ethane;2-ethyladamantane

ethane;2-ethyladamantane (PubChem CID 91302679) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is ethane;2-ethyladamantane.

Molecular Properties

Compound Nameethane;2-ethyladamantane
PubChem CID91302679
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Nameethane;2-ethyladamantane
SMILESCC.CC.CC.CCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20.3C2H6/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;3*1-2/h8-12H,2-7H2,1H3;3*1-2H3
InChIKeyWLUPGMWDVQBQSC-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-adamantyl)-N-methylmethanesulfonamide
CID 165445876
N-(2-adamantylmethyl)ethanamine
CID 81096039
adamantane;ethane
CID 90892828
3-ethylbicyclo[3.1.1]heptane
CID 59715790
ethane;2-methyladamantane
CID 90765849
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
adamantane;ethane;methane
CID 157076952
N-(2-adamantylmethyl)butan-2-amine
CID 81095609
2-adamantyl(triethyl)azanium
CID 14054655
N,N-diethyladamantan-2-amine
CID 14054651
adamantane;hexane
CID 157109132
methoxyethane;2-methyladamantane
CID 174817324

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyladamantane?
The IUPAC name of ethane;2-ethyladamantane (CID 91302679) is ethane;2-ethyladamantane.
What is the SMILES notation for ethane;2-ethyladamantane?
The canonical SMILES for ethane;2-ethyladamantane is CC.CC.CC.CCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of ethane;2-ethyladamantane?
The InChIKey is WLUPGMWDVQBQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.3C2H6/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;3*1-2/h8-12H,2-7H2,1H3;3*1-2H3.
What are the key properties of ethane;2-ethyladamantane?
ethane;2-ethyladamantane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyladamantane is sourced from PubChem (CID 91302679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).