6-methyl-8-propylhexadecane

C20H42 — CID 91357269

IUPAC6-methyl-8-propylhexadecane
SMILESCCCCCCCCC(CCC)CC(C)CCCCC
InChIInChI=1S/C20H42/c1-5-8-10-11-12-14-17-20(15-7-3)18-19(4)16-13-9-6-2/h19-20H,5-18H2,1-4H3
InChIKeyNSDGMESYERRZQX-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.76
Rot. Bonds15

About 6-methyl-8-propylhexadecane

6-methyl-8-propylhexadecane (PubChem CID 91357269) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 6-methyl-8-propylhexadecane.

Molecular Properties

Compound Name6-methyl-8-propylhexadecane
PubChem CID91357269
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name6-methyl-8-propylhexadecane
SMILESCCCCCCCCC(CCC)CC(C)CCCCC
InChIInChI=1S/C20H42/c1-5-8-10-11-12-14-17-20(15-7-3)18-19(4)16-13-9-6-2/h19-20H,5-18H2,1-4H3
InChIKeyNSDGMESYERRZQX-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.76
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

8-methyl-6-propyltetradecane
CID 90964105
6-methyl-8-propylpentadecane
CID 90954253
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-propylhexadecane?
The IUPAC name of 6-methyl-8-propylhexadecane (CID 91357269) is 6-methyl-8-propylhexadecane.
What is the SMILES notation for 6-methyl-8-propylhexadecane?
The canonical SMILES for 6-methyl-8-propylhexadecane is CCCCCCCCC(CCC)CC(C)CCCCC.
What is the InChIKey of 6-methyl-8-propylhexadecane?
The InChIKey is NSDGMESYERRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-8-10-11-12-14-17-20(15-7-3)18-19(4)16-13-9-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 6-methyl-8-propylhexadecane?
6-methyl-8-propylhexadecane has a molecular weight of 282.56 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-propylhexadecane is sourced from PubChem (CID 91357269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).