6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene

C23H32 — CID 158225433

IUPAC6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC/C=C(C)/C=C/C=C(/c1ccc2c(c1)CCCC2)C(C)(C)C
InChIInChI=1S/C23H32/c1-6-10-18(2)11-9-14-22(23(3,4)5)21-16-15-19-12-7-8-13-20(19)17-21/h9-11,14-17H,6-8,12-13H2,1-5H3/b11-9+,18-10+,22-14-
InChIKeyRNRKINWQOKZWIK-WMMJNGJXSA-N
MW308.51 g/mol
LogP6.91
Rot. Bonds4

About 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene

6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 158225433) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID158225433
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC/C=C(C)/C=C/C=C(/c1ccc2c(c1)CCCC2)C(C)(C)C
InChIInChI=1S/C23H32/c1-6-10-18(2)11-9-14-22(23(3,4)5)21-16-15-19-12-7-8-13-20(19)17-21/h9-11,14-17H,6-8,12-13H2,1-5H3/b11-9+,18-10+,22-14-
InChIKeyRNRKINWQOKZWIK-WMMJNGJXSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene 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

1-Methylnaphthalene
CID 7002
1,2,4-Trimethylbenzene
CID 7247
7,12-Dimethylbenz(a)anthracene
CID 6001
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
4-tert-Butyltoluene
CID 7390
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
2,6-Diisopropylnaphthalene
CID 32241
9,10-Dimethylanthracene
CID 13076
1,2-Dimethylnaphthalene
CID 11317
1,2,3,4-Tetramethylbenzene
CID 10263

Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene (CID 158225433) is 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene is CC/C=C(C)/C=C/C=C(/c1ccc2c(c1)CCCC2)C(C)(C)C.
What is the InChIKey of 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RNRKINWQOKZWIK-WMMJNGJXSA-N. The full InChI is InChI=1S/C23H32/c1-6-10-18(2)11-9-14-22(23(3,4)5)21-16-15-19-12-7-8-13-20(19)17-21/h9-11,14-17H,6-8,12-13H2,1-5H3/b11-9+,18-10+,22-14-.
What are the key properties of 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene?
6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 308.51 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158225433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).