(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene

C25H30 — CID 143950817

IUPAC(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C/C=C\c1c(C)cc(C)c(C[C@H]2c3ccccc3CCC2C)c1C
InChIInChI=1S/C25H30/c1-6-7-11-22-18(3)15-19(4)24(20(22)5)16-25-17(2)13-14-21-10-8-9-12-23(21)25/h6-12,15,17,25H,1,13-14,16H2,2-5H3/b11-7-/t17?,25-/m1/s1
InChIKeyDJNHPKIRYXLQMJ-ROXPVXNKSA-N
MW330.52 g/mol
LogP6.72
Rot. Bonds4

About (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene

(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 143950817) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID143950817
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C/C=C\c1c(C)cc(C)c(C[C@H]2c3ccccc3CCC2C)c1C
InChIInChI=1S/C25H30/c1-6-7-11-22-18(3)15-19(4)24(20(22)5)16-25-17(2)13-14-21-10-8-9-12-23(21)25/h6-12,15,17,25H,1,13-14,16H2,2-5H3/b11-7-/t17?,25-/m1/s1
InChIKeyDJNHPKIRYXLQMJ-ROXPVXNKSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-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

(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15645399
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353
(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22864481
(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 142938750
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 143950817) is (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene is C=C/C=C\c1c(C)cc(C)c(C[C@H]2c3ccccc3CCC2C)c1C.
What is the InChIKey of (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DJNHPKIRYXLQMJ-ROXPVXNKSA-N. The full InChI is InChI=1S/C25H30/c1-6-7-11-22-18(3)15-19(4)24(20(22)5)16-25-17(2)13-14-21-10-8-9-12-23(21)25/h6-12,15,17,25H,1,13-14,16H2,2-5H3/b11-7-/t17?,25-/m1/s1.
What are the key properties of (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 330.52 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143950817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).