4,5-dipropyltetradecane

C20H42 — CID 21490606

IUPAC4,5-dipropyltetradecane
SMILESCCCCCCCCCC(CCC)C(CCC)CCC
InChIInChI=1S/C20H42/c1-5-9-10-11-12-13-14-18-20(17-8-4)19(15-6-2)16-7-3/h19-20H,5-18H2,1-4H3
InChIKeyPSMRRUIVKGHLES-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.76
Rot. Bonds15

About 4,5-dipropyltetradecane

4,5-dipropyltetradecane (PubChem CID 21490606) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 4,5-dipropyltetradecane.

Molecular Properties

Compound Name4,5-dipropyltetradecane
PubChem CID21490606
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name4,5-dipropyltetradecane
SMILESCCCCCCCCCC(CCC)C(CCC)CCC
InChIInChI=1S/C20H42/c1-5-9-10-11-12-13-14-18-20(17-8-4)19(15-6-2)16-7-3/h19-20H,5-18H2,1-4H3
InChIKeyPSMRRUIVKGHLES-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'}

Analyze 4,5-dipropyltetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
6,7-dipropyldodecane
CID 529940
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
7-ethyl-6-propyltridecane
CID 530352
8,9-dibutylhexadecane
CID 530025
3-octyl-4-propylhexane-1,6-diol
CID 154092864
4-propan-2-yldecane
CID 15038736
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
(7R,8S)-8-hexyl-7-[(4R)-octan-4-yl]heptadecane
CID 166447772

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyltetradecane?
The IUPAC name of 4,5-dipropyltetradecane (CID 21490606) is 4,5-dipropyltetradecane.
What is the SMILES notation for 4,5-dipropyltetradecane?
The canonical SMILES for 4,5-dipropyltetradecane is CCCCCCCCCC(CCC)C(CCC)CCC.
What is the InChIKey of 4,5-dipropyltetradecane?
The InChIKey is PSMRRUIVKGHLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-9-10-11-12-13-14-18-20(17-8-4)19(15-6-2)16-7-3/h19-20H,5-18H2,1-4H3.
What are the key properties of 4,5-dipropyltetradecane?
4,5-dipropyltetradecane 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 4,5-dipropyltetradecane is sourced from PubChem (CID 21490606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).