6,7-dipropyldodecane

C18H38 — CID 529940

IUPAC6,7-dipropyldodecane
SMILESCCCCCC(CCC)C(CCC)CCCCC
InChIInChI=1S/C18H38/c1-5-9-11-15-17(13-7-3)18(14-8-4)16-12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyMFTVIERSAXRDSU-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 6,7-dipropyldodecane

6,7-dipropyldodecane (PubChem CID 529940) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 6,7-dipropyldodecane.

Molecular Properties

Compound Name6,7-dipropyldodecane
PubChem CID529940
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name6,7-dipropyldodecane
SMILESCCCCCC(CCC)C(CCC)CCCCC
InChIInChI=1S/C18H38/c1-5-9-11-15-17(13-7-3)18(14-8-4)16-12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyMFTVIERSAXRDSU-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.98
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

4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
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 6,7-dipropyldodecane?
The IUPAC name of 6,7-dipropyldodecane (CID 529940) is 6,7-dipropyldodecane.
What is the SMILES notation for 6,7-dipropyldodecane?
The canonical SMILES for 6,7-dipropyldodecane is CCCCCC(CCC)C(CCC)CCCCC.
What is the InChIKey of 6,7-dipropyldodecane?
The InChIKey is MFTVIERSAXRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-9-11-15-17(13-7-3)18(14-8-4)16-12-10-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 6,7-dipropyldodecane?
6,7-dipropyldodecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dipropyldodecane is sourced from PubChem (CID 529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).