ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C15H30 — CID 90824446

IUPACethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CC1CCC2CCCC(C)C2C1C
InChIInChI=1S/C13H24.C2H6/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;1-2/h9-13H,4-8H2,1-3H3;1-2H3
InChIKeyILIXHQVCLBRLRJ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds

About ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 90824446) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Nameethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID90824446
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CC1CCC2CCCC(C)C2C1C
InChIInChI=1S/C13H24.C2H6/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;1-2/h9-13H,4-8H2,1-3H3;1-2H3
InChIKeyILIXHQVCLBRLRJ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147576937
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
2-cyclopropyl-1,3-dimethylcyclopentane
CID 154518239
CID 169427116
CID 169427116
(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
CID 134386503
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143216402
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 90824446) is ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC.CC1CCC2CCCC(C)C2C1C.
What is the InChIKey of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is ILIXHQVCLBRLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C2H6/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;1-2/h9-13H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 210.40 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 90824446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).