decane;ethane;1-(2-ethyloctoxy)tetradecane

C36H78O — CID 155743358

IUPACdecane;ethane;1-(2-ethyloctoxy)tetradecane
SMILESCC.CCCCCCCCCC.CCCCCCCCCCCCCCOCC(CC)CCCCCC
InChIInChI=1S/C24H50O.C10H22.C2H6/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-25-23-24(6-3)21-19-10-8-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h24H,4-23H2,1-3H3;3-10H2,1-2H3;1-2H3
InChIKeyJJGCNZPKWZNHIK-UHFFFAOYSA-N
MW527.02 g/mol
LogP13.87
Rot. Bonds28

About decane;ethane;1-(2-ethyloctoxy)tetradecane

decane;ethane;1-(2-ethyloctoxy)tetradecane (PubChem CID 155743358) has the molecular formula C36H78O and a molecular weight of 527.02 g/mol. Its IUPAC name is decane;ethane;1-(2-ethyloctoxy)tetradecane.

Molecular Properties

Compound Namedecane;ethane;1-(2-ethyloctoxy)tetradecane
PubChem CID155743358
Molecular FormulaC36H78O
Molecular Weight527.02 g/mol
Exact Mass526.61
IUPAC Namedecane;ethane;1-(2-ethyloctoxy)tetradecane
SMILESCC.CCCCCCCCCC.CCCCCCCCCCCCCCOCC(CC)CCCCCC
InChIInChI=1S/C24H50O.C10H22.C2H6/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-25-23-24(6-3)21-19-10-8-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h24H,4-23H2,1-3H3;3-10H2,1-2H3;1-2H3
InChIKeyJJGCNZPKWZNHIK-UHFFFAOYSA-N
XLogP13.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.02
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
1-(2-ethylbutoxy)decane
CID 22002893
10-(butoxymethyl)henicosane
CID 87840055
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
(2R)-2-(hexadecoxymethyl)butan-1-ol
CID 134215286
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840

Frequently Asked Questions

What is the IUPAC name of decane;ethane;1-(2-ethyloctoxy)tetradecane?
The IUPAC name of decane;ethane;1-(2-ethyloctoxy)tetradecane (CID 155743358) is decane;ethane;1-(2-ethyloctoxy)tetradecane.
What is the SMILES notation for decane;ethane;1-(2-ethyloctoxy)tetradecane?
The canonical SMILES for decane;ethane;1-(2-ethyloctoxy)tetradecane is CC.CCCCCCCCCC.CCCCCCCCCCCCCCOCC(CC)CCCCCC.
What is the InChIKey of decane;ethane;1-(2-ethyloctoxy)tetradecane?
The InChIKey is JJGCNZPKWZNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O.C10H22.C2H6/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-25-23-24(6-3)21-19-10-8-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h24H,4-23H2,1-3H3;3-10H2,1-2H3;1-2H3.
What are the key properties of decane;ethane;1-(2-ethyloctoxy)tetradecane?
decane;ethane;1-(2-ethyloctoxy)tetradecane has a molecular weight of 527.02 g/mol, XLogP of 13.87, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethane;1-(2-ethyloctoxy)tetradecane is sourced from PubChem (CID 155743358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).