6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C17H32 — CID 123484692

IUPAC6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCC1CCC2CC(C(C)(C)C)CCC2(C)C1C
InChIInChI=1S/C17H32/c1-12-7-8-15-11-14(16(3,4)5)9-10-17(15,6)13(12)2/h12-15H,7-11H2,1-6H3
InChIKeyJHHZESJBUGHXRZ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.52
Rot. Bonds

About 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 123484692) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID123484692
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCC1CCC2CC(C(C)(C)C)CCC2(C)C1C
InChIInChI=1S/C17H32/c1-12-7-8-15-11-14(16(3,4)5)9-10-17(15,6)13(12)2/h12-15H,7-11H2,1-6H3
InChIKeyJHHZESJBUGHXRZ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene with MolForge

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Related Compounds

1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
(1R,2S,4S,7S,8R,9S,12S,13S,18R)-16-tert-butyl-4',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,1'-cyclohexane]
CID 155381837
3-tert-butyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 76670874
1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane
CID 123679159
(1R,4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 165344211
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229
1,3-ditert-butylcyclopentane;ethane
CID 161179598
1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 123235096
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
4-tert-butyl-1-(4-tert-butyl-1-methoxycyclohexyl)-1-methoxycyclohexane
CID 178089646
(2S)-6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane
CID 138978099

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 123484692) is 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is CC1CCC2CC(C(C)(C)C)CCC2(C)C1C.
What is the InChIKey of 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is JHHZESJBUGHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-12-7-8-15-11-14(16(3,4)5)9-10-17(15,6)13(12)2/h12-15H,7-11H2,1-6H3.
What are the key properties of 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 236.44 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 123484692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).