6-methyl-8-propylpentadecane

C19H40 — CID 90954253

IUPAC6-methyl-8-propylpentadecane
SMILESCCCCCCCC(CCC)CC(C)CCCCC
InChIInChI=1S/C19H40/c1-5-8-10-11-13-16-19(14-7-3)17-18(4)15-12-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyZCLMROSQPJJYON-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.37
Rot. Bonds14

About 6-methyl-8-propylpentadecane

6-methyl-8-propylpentadecane (PubChem CID 90954253) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 6-methyl-8-propylpentadecane.

Molecular Properties

Compound Name6-methyl-8-propylpentadecane
PubChem CID90954253
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name6-methyl-8-propylpentadecane
SMILESCCCCCCCC(CCC)CC(C)CCCCC
InChIInChI=1S/C19H40/c1-5-8-10-11-13-16-19(14-7-3)17-18(4)15-12-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyZCLMROSQPJJYON-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
9-butyl-7-methylhexadecane
CID 90905022
9,17-dimethyl-11,13,15-trioctylpentacosane
CID 140909341
11-ethyl-9-methylhenicosane
CID 154589575
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
5-ethyl-7-methylhexadecane
CID 173452938
9-butyl-7-propylheptadecane
CID 91567761
(4R,6S)-4,6-dimethyldodecane
CID 162976966
7-butyl-9-propylhexadecane
CID 91502397

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-propylpentadecane?
The IUPAC name of 6-methyl-8-propylpentadecane (CID 90954253) is 6-methyl-8-propylpentadecane.
What is the SMILES notation for 6-methyl-8-propylpentadecane?
The canonical SMILES for 6-methyl-8-propylpentadecane is CCCCCCCC(CCC)CC(C)CCCCC.
What is the InChIKey of 6-methyl-8-propylpentadecane?
The InChIKey is ZCLMROSQPJJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-5-8-10-11-13-16-19(14-7-3)17-18(4)15-12-9-6-2/h18-19H,5-17H2,1-4H3.
What are the key properties of 6-methyl-8-propylpentadecane?
6-methyl-8-propylpentadecane has a molecular weight of 268.53 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-propylpentadecane is sourced from PubChem (CID 90954253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).