4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene

C19H32 — CID 142237256

IUPAC4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene
SMILESCCCC(C)CCC(C)CCC1=CC=C(C)CC=C1
InChIInChI=1S/C19H32/c1-5-7-16(2)10-11-18(4)13-15-19-9-6-8-17(3)12-14-19/h6,9,12,14,16,18H,5,7-8,10-11,13,15H2,1-4H3
InChIKeyHRNPSLUGLMUOSY-UHFFFAOYSA-N
MW260.47 g/mol
LogP6.45
Rot. Bonds8

About 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene

4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene (PubChem CID 142237256) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene
PubChem CID142237256
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene
SMILESCCCC(C)CCC(C)CCC1=CC=C(C)CC=C1
InChIInChI=1S/C19H32/c1-5-7-16(2)10-11-18(4)13-15-19-9-6-8-17(3)12-14-19/h6,9,12,14,16,18H,5,7-8,10-11,13,15H2,1-4H3
InChIKeyHRNPSLUGLMUOSY-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene 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

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 153384449
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
4-methylheptane;propane
CID 142171269
(3R,6R)-3,6-dimethylnonane
CID 170848352
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
1-(5-methyloctan-2-yl)piperidine
CID 130243684
4-bromo-1-methylcyclohepta-1,3,5-triene;ethane
CID 145346166
acetylene;4-methylheptane
CID 143164229
1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491
2-(3-methylhexyl)cyclohexa-2,5-diene-1,4-dione
CID 135291336

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene?
The IUPAC name of 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene (CID 142237256) is 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene is CCCC(C)CCC(C)CCC1=CC=C(C)CC=C1.
What is the InChIKey of 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene?
The InChIKey is HRNPSLUGLMUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-7-16(2)10-11-18(4)13-15-19-9-6-8-17(3)12-14-19/h6,9,12,14,16,18H,5,7-8,10-11,13,15H2,1-4H3.
What are the key properties of 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene?
4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene has a molecular weight of 260.47 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylnonyl)-1-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142237256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).