6,6-dipropoxydodecane

C18H38O2 — CID 89440027

IUPAC6,6-dipropoxydodecane
SMILESCCCCCCC(CCCCC)(OCCC)OCCC
InChIInChI=1S/C18H38O2/c1-5-9-11-13-15-18(19-16-7-3,20-17-8-4)14-12-10-6-2/h5-17H2,1-4H3
InChIKeyQKRLEXVGADNRLK-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.09
Rot. Bonds15

About 6,6-dipropoxydodecane

6,6-dipropoxydodecane (PubChem CID 89440027) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 6,6-dipropoxydodecane.

Molecular Properties

Compound Name6,6-dipropoxydodecane
PubChem CID89440027
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name6,6-dipropoxydodecane
SMILESCCCCCCC(CCCCC)(OCCC)OCCC
InChIInChI=1S/C18H38O2/c1-5-9-11-13-15-18(19-16-7-3,20-17-8-4)14-12-10-6-2/h5-17H2,1-4H3
InChIKeyQKRLEXVGADNRLK-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

10,10-dipropoxyicosane
CID 150666261
4,4-dipentoxytridecane
CID 150402661
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
5,5-dibutoxynonane
CID 89440038
3,3-diethoxy-1-propoxydodecane
CID 172848936
2,2-dipropoxyoctane
CID 89440090
5-methoxy-5-pentoxytetradecane
CID 161410500
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
3,3-dimethoxynonane
CID 14785776
10-decoxy-10-nonylnonadecane
CID 150430521
3,3-diethoxyoctane
CID 89440562

Frequently Asked Questions

What is the IUPAC name of 6,6-dipropoxydodecane?
The IUPAC name of 6,6-dipropoxydodecane (CID 89440027) is 6,6-dipropoxydodecane.
What is the SMILES notation for 6,6-dipropoxydodecane?
The canonical SMILES for 6,6-dipropoxydodecane is CCCCCCC(CCCCC)(OCCC)OCCC.
What is the InChIKey of 6,6-dipropoxydodecane?
The InChIKey is QKRLEXVGADNRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-5-9-11-13-15-18(19-16-7-3,20-17-8-4)14-12-10-6-2/h5-17H2,1-4H3.
What are the key properties of 6,6-dipropoxydodecane?
6,6-dipropoxydodecane has a molecular weight of 286.50 g/mol, XLogP of 6.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dipropoxydodecane is sourced from PubChem (CID 89440027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).