3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene

C14H22 — CID 141325343

IUPAC3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene
SMILESCC1=CCC2(C)C=CCC(C)(C)C2C1
InChIInChI=1S/C14H22/c1-11-6-9-14(4)8-5-7-13(2,3)12(14)10-11/h5-6,8,12H,7,9-10H2,1-4H3
InChIKeyRIEKWSTYAUZFIF-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene

3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene (PubChem CID 141325343) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene.

Molecular Properties

Compound Name3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene
PubChem CID141325343
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene
SMILESCC1=CCC2(C)C=CCC(C)(C)C2C1
InChIInChI=1S/C14H22/c1-11-6-9-14(4)8-5-7-13(2,3)12(14)10-11/h5-6,8,12H,7,9-10H2,1-4H3
InChIKeyRIEKWSTYAUZFIF-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene?
The IUPAC name of 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene (CID 141325343) is 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene.
What is the SMILES notation for 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene?
The canonical SMILES for 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene is CC1=CCC2(C)C=CCC(C)(C)C2C1.
What is the InChIKey of 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene?
The InChIKey is RIEKWSTYAUZFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11-6-9-14(4)8-5-7-13(2,3)12(14)10-11/h5-6,8,12H,7,9-10H2,1-4H3.
What are the key properties of 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene?
3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8a-tetramethyl-1,4,4a,6-tetrahydronaphthalene is sourced from PubChem (CID 141325343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).