2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22 — CID 15379

IUPAC2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C)CCC2C1
InChIInChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3
InChIKeyXNOHNIPVHGINQP-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 15379) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID15379
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C)CCC2C1
InChIInChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3
InChIKeyXNOHNIPVHGINQP-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Decalin
CID 7044
1,2,4-Trimethylcyclohexane
CID 91517
2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
1,2,4,5-Tetramethylcyclohexane
CID 92914
Phenanthrene, tetradecahydro-
CID 21971
Tetradecahydroanthracene
CID 93034
1Alpha,2beta,4-beta-trimethylcyclohexane
CID 6432704
cis,trans,cis-1,2,4-Trimethylcyclohexane
CID 12536912
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
9-n-Dodecylperhydrophenanthrene
CID 296267
(1S,2S,4S)-1,2,4-trimethylcyclohexane
CID 252327

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 15379) is 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CC(C)CCC2C1.
What is the InChIKey of 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is XNOHNIPVHGINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 15379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).