4-propan-2-yldecane

C13H28 — CID 15038736

IUPAC4-propan-2-yldecane
SMILESCCCCCCC(CCC)C(C)C
InChIInChI=1S/C13H28/c1-5-7-8-9-11-13(10-6-2)12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyJOEOEDHVZSQRRN-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 4-propan-2-yldecane

4-propan-2-yldecane (PubChem CID 15038736) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4-propan-2-yldecane.

Molecular Properties

Compound Name4-propan-2-yldecane
PubChem CID15038736
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4-propan-2-yldecane
SMILESCCCCCCC(CCC)C(C)C
InChIInChI=1S/C13H28/c1-5-7-8-9-11-13(10-6-2)12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyJOEOEDHVZSQRRN-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
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
6-propan-2-yltridecane
CID 123704479
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
8-propan-2-yl-11-propyloctadecane
CID 123538924
6,7-dipropyldodecane
CID 529940
2-propan-2-yloctan-1-amine
CID 62504332
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
7-ethyl-6-propyltridecane
CID 530352

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yldecane?
The IUPAC name of 4-propan-2-yldecane (CID 15038736) is 4-propan-2-yldecane.
What is the SMILES notation for 4-propan-2-yldecane?
The canonical SMILES for 4-propan-2-yldecane is CCCCCCC(CCC)C(C)C.
What is the InChIKey of 4-propan-2-yldecane?
The InChIKey is JOEOEDHVZSQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-7-8-9-11-13(10-6-2)12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-propan-2-yldecane?
4-propan-2-yldecane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yldecane is sourced from PubChem (CID 15038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).