3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene

C14H24 — CID 154160378

IUPAC3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene
SMILESCC1(C)CCC2CCC=CC2C1(C)C
InChIInChI=1S/C14H24/c1-13(2)10-9-11-7-5-6-8-12(11)14(13,3)4/h6,8,11-12H,5,7,9-10H2,1-4H3
InChIKeyPZPNEFZUWZMHHP-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.41
Rot. Bonds

About 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene

3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene (PubChem CID 154160378) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene
PubChem CID154160378
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene
SMILESCC1(C)CCC2CCC=CC2C1(C)C
InChIInChI=1S/C14H24/c1-13(2)10-9-11-7-5-6-8-12(11)14(13,3)4/h6,8,11-12H,5,7,9-10H2,1-4H3
InChIKeyPZPNEFZUWZMHHP-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,4aS,8aS)-4,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 24796744
(1R,2R,7S,9S)-7,9-dimethyl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 10631175
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
CID 91529219
(1R,7S,8R)-8-chloro-8-methylbicyclo[5.1.0]oct-2-ene
CID 131843170
1-(1,2a,5,6,6a,7-hexahydroazirino[1,2-a]indol-7a-yl)ethanamine
CID 87858451
trimethyl-(8-trimethylsilyl-8-bicyclo[5.1.0]oct-2-enyl)silane
CID 14004155
(3S)-3-methylcyclopentene
CID 11018803
8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
CID 12882522
(1R,3aR,8aS)-1-methyl-4-methylidene-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 10910137
3,4,4a,5,6,8a-hexahydroisoquinoline
CID 57198919
2-[(1R,6R)-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 11820069

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene?
The IUPAC name of 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene (CID 154160378) is 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene.
What is the SMILES notation for 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene?
The canonical SMILES for 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene is CC1(C)CCC2CCC=CC2C1(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene?
The InChIKey is PZPNEFZUWZMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-13(2)10-9-11-7-5-6-8-12(11)14(13,3)4/h6,8,11-12H,5,7,9-10H2,1-4H3.
What are the key properties of 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene?
3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene is sourced from PubChem (CID 154160378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).