8-butyl-10-pentylheptadecane

C26H54 — CID 91542009

IUPAC8-butyl-10-pentylheptadecane
SMILESCCCCCCCC(CCCC)CC(CCCCC)CCCCCCC
InChIInChI=1S/C26H54/c1-5-9-13-15-18-22-25(20-12-8-4)24-26(21-17-11-7-3)23-19-16-14-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyOSOZZIWLNDPVTI-UHFFFAOYSA-N
MW366.72 g/mol
LogP10.10
Rot. Bonds21

About 8-butyl-10-pentylheptadecane

8-butyl-10-pentylheptadecane (PubChem CID 91542009) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 8-butyl-10-pentylheptadecane.

Molecular Properties

Compound Name8-butyl-10-pentylheptadecane
PubChem CID91542009
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name8-butyl-10-pentylheptadecane
SMILESCCCCCCCC(CCCC)CC(CCCCC)CCCCCCC
InChIInChI=1S/C26H54/c1-5-9-13-15-18-22-25(20-12-8-4)24-26(21-17-11-7-3)23-19-16-14-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyOSOZZIWLNDPVTI-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-butyl-10-pentylheptadecane 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

5,7-dibutyltridecane
CID 14297331
5,7-dibutylundecane;nonane
CID 159714693
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
9-ethyl-11-heptylnonadecane
CID 90975246
9-ethyl-7-pentylhexadecane
CID 91283125
6-butylhenicosane
CID 91802566

Frequently Asked Questions

What is the IUPAC name of 8-butyl-10-pentylheptadecane?
The IUPAC name of 8-butyl-10-pentylheptadecane (CID 91542009) is 8-butyl-10-pentylheptadecane.
What is the SMILES notation for 8-butyl-10-pentylheptadecane?
The canonical SMILES for 8-butyl-10-pentylheptadecane is CCCCCCCC(CCCC)CC(CCCCC)CCCCCCC.
What is the InChIKey of 8-butyl-10-pentylheptadecane?
The InChIKey is OSOZZIWLNDPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-5-9-13-15-18-22-25(20-12-8-4)24-26(21-17-11-7-3)23-19-16-14-10-6-2/h25-26H,5-24H2,1-4H3.
What are the key properties of 8-butyl-10-pentylheptadecane?
8-butyl-10-pentylheptadecane has a molecular weight of 366.72 g/mol, XLogP of 10.10, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-10-pentylheptadecane is sourced from PubChem (CID 91542009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).