7,8-dimethyltetradecane

C16H34 — CID 530303

IUPAC7,8-dimethyltetradecane
SMILESCCCCCCC(C)C(C)CCCCCC
InChIInChI=1S/C16H34/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyADQGKNVLGXQIRL-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 7,8-dimethyltetradecane

7,8-dimethyltetradecane (PubChem CID 530303) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 7,8-dimethyltetradecane.

Molecular Properties

Compound Name7,8-dimethyltetradecane
PubChem CID530303
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name7,8-dimethyltetradecane
SMILESCCCCCCC(C)C(C)CCCCCC
InChIInChI=1S/C16H34/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyADQGKNVLGXQIRL-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
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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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyltetradecane?
The IUPAC name of 7,8-dimethyltetradecane (CID 530303) is 7,8-dimethyltetradecane.
What is the SMILES notation for 7,8-dimethyltetradecane?
The canonical SMILES for 7,8-dimethyltetradecane is CCCCCCC(C)C(C)CCCCCC.
What is the InChIKey of 7,8-dimethyltetradecane?
The InChIKey is ADQGKNVLGXQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 7,8-dimethyltetradecane?
7,8-dimethyltetradecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyltetradecane is sourced from PubChem (CID 530303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).