4-methyl-10-(2-methylheptan-4-yl)heptadecane

C26H54 — CID 123244941

IUPAC4-methyl-10-(2-methylheptan-4-yl)heptadecane
SMILESCCCCCCCC(CCCCCC(C)CCC)C(CCC)CC(C)C
InChIInChI=1S/C26H54/c1-7-10-11-12-15-20-25(26(18-9-3)22-23(4)5)21-16-13-14-19-24(6)17-8-2/h23-26H,7-22H2,1-6H3
InChIKeyPDEXRZHFEXBHET-UHFFFAOYSA-N
MW366.72 g/mol
LogP9.81
Rot. Bonds19

About 4-methyl-10-(2-methylheptan-4-yl)heptadecane

4-methyl-10-(2-methylheptan-4-yl)heptadecane (PubChem CID 123244941) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 4-methyl-10-(2-methylheptan-4-yl)heptadecane.

Molecular Properties

Compound Name4-methyl-10-(2-methylheptan-4-yl)heptadecane
PubChem CID123244941
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name4-methyl-10-(2-methylheptan-4-yl)heptadecane
SMILESCCCCCCCC(CCCCCC(C)CCC)C(CCC)CC(C)C
InChIInChI=1S/C26H54/c1-7-10-11-12-15-20-25(26(18-9-3)22-23(4)5)21-16-13-14-19-24(6)17-8-2/h23-26H,7-22H2,1-6H3
InChIKeyPDEXRZHFEXBHET-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methyl-10-(2-methylheptan-4-yl)heptadecane 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

7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
8-ethyl-4-methyl-7-propyltetradecane
CID 90981946
4,9-dimethylpentadecane
CID 123851930
4-methyltritriacontane
CID 71346224
(4S)-4-methyltridecane
CID 24884428
(4R)-4-methyldecane
CID 57191620
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
4,5-dipropyltetradecane
CID 21490606
7,8-dipropyltetradecane
CID 530307

Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-(2-methylheptan-4-yl)heptadecane?
The IUPAC name of 4-methyl-10-(2-methylheptan-4-yl)heptadecane (CID 123244941) is 4-methyl-10-(2-methylheptan-4-yl)heptadecane.
What is the SMILES notation for 4-methyl-10-(2-methylheptan-4-yl)heptadecane?
The canonical SMILES for 4-methyl-10-(2-methylheptan-4-yl)heptadecane is CCCCCCCC(CCCCCC(C)CCC)C(CCC)CC(C)C.
What is the InChIKey of 4-methyl-10-(2-methylheptan-4-yl)heptadecane?
The InChIKey is PDEXRZHFEXBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-7-10-11-12-15-20-25(26(18-9-3)22-23(4)5)21-16-13-14-19-24(6)17-8-2/h23-26H,7-22H2,1-6H3.
What are the key properties of 4-methyl-10-(2-methylheptan-4-yl)heptadecane?
4-methyl-10-(2-methylheptan-4-yl)heptadecane has a molecular weight of 366.72 g/mol, XLogP of 9.81, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-(2-methylheptan-4-yl)heptadecane is sourced from PubChem (CID 123244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).