6,7-dimethyl-5-propyldodecane

C17H36 — CID 123459990

IUPAC6,7-dimethyl-5-propyldodecane
SMILESCCCCCC(C)C(C)C(CCC)CCCC
InChIInChI=1S/C17H36/c1-6-9-11-13-15(4)16(5)17(12-8-3)14-10-7-2/h15-17H,6-14H2,1-5H3
InChIKeyDOAKJERKVHRJDO-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 6,7-dimethyl-5-propyldodecane

6,7-dimethyl-5-propyldodecane (PubChem CID 123459990) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 6,7-dimethyl-5-propyldodecane.

Molecular Properties

Compound Name6,7-dimethyl-5-propyldodecane
PubChem CID123459990
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name6,7-dimethyl-5-propyldodecane
SMILESCCCCCC(C)C(C)C(CCC)CCCC
InChIInChI=1S/C17H36/c1-6-9-11-13-15(4)16(5)17(12-8-3)14-10-7-2/h15-17H,6-14H2,1-5H3
InChIKeyDOAKJERKVHRJDO-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
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

4-ethyl-5,6-dimethylheptadecane
CID 123804751
11-butyl-4,12-dimethylhexacosane
CID 153276658
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
6,7-dipropyldodecane
CID 529940
5-(3-methylbutan-2-yl)tridecane
CID 123909892
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260
8-methyl-7-pentylhexadecane
CID 123739023
4,5-dipropyltetradecane
CID 21490606
4,5-diethylnonane
CID 21188862
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-propyldodecane?
The IUPAC name of 6,7-dimethyl-5-propyldodecane (CID 123459990) is 6,7-dimethyl-5-propyldodecane.
What is the SMILES notation for 6,7-dimethyl-5-propyldodecane?
The canonical SMILES for 6,7-dimethyl-5-propyldodecane is CCCCCC(C)C(C)C(CCC)CCCC.
What is the InChIKey of 6,7-dimethyl-5-propyldodecane?
The InChIKey is DOAKJERKVHRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-9-11-13-15(4)16(5)17(12-8-3)14-10-7-2/h15-17H,6-14H2,1-5H3.
What are the key properties of 6,7-dimethyl-5-propyldodecane?
6,7-dimethyl-5-propyldodecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-propyldodecane is sourced from PubChem (CID 123459990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).