6-propan-2-yltridecane

C16H34 — CID 123704479

IUPAC6-propan-2-yltridecane
SMILESCCCCCCCC(CCCCC)C(C)C
InChIInChI=1S/C16H34/c1-5-7-9-10-12-14-16(15(3)4)13-11-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyIVXJGJZPCDOKSR-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 6-propan-2-yltridecane

6-propan-2-yltridecane (PubChem CID 123704479) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 6-propan-2-yltridecane.

Molecular Properties

Compound Name6-propan-2-yltridecane
PubChem CID123704479
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name6-propan-2-yltridecane
SMILESCCCCCCCC(CCCCC)C(C)C
InChIInChI=1S/C16H34/c1-5-7-9-10-12-14-16(15(3)4)13-11-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyIVXJGJZPCDOKSR-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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Related Compounds

8-propan-2-ylpentadecane
CID 153475308
4-propan-2-yldecane
CID 15038736
2-propan-2-yloctan-1-amine
CID 62504332
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
8-propan-2-yl-11-propyloctadecane
CID 123538924
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
3-methyl-6-propan-2-ylundecane
CID 123788850
6-propan-2-ylicos-9-yne
CID 22223793
10-propan-2-ylnonadecanal
CID 167408636
8,9-dibutylhexadecane
CID 530025
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yltridecane?
The IUPAC name of 6-propan-2-yltridecane (CID 123704479) is 6-propan-2-yltridecane.
What is the SMILES notation for 6-propan-2-yltridecane?
The canonical SMILES for 6-propan-2-yltridecane is CCCCCCCC(CCCCC)C(C)C.
What is the InChIKey of 6-propan-2-yltridecane?
The InChIKey is IVXJGJZPCDOKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-7-9-10-12-14-16(15(3)4)13-11-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 6-propan-2-yltridecane?
6-propan-2-yltridecane 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 6-propan-2-yltridecane is sourced from PubChem (CID 123704479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).