1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane

C25H48O2 — CID 146614252

IUPAC1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane
SMILESC=C(CCC)C(C)(C)CCCCCOCCCCCC(C)(C)C(=C)OCC
InChIInChI=1S/C25H48O2/c1-9-17-22(3)24(5,6)18-13-11-15-20-26-21-16-12-14-19-25(7,8)23(4)27-10-2/h3-4,9-21H2,1-2,5-8H3
InChIKeyALKMAIPVUSXTGT-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.08
Rot. Bonds18

About 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane

1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane (PubChem CID 146614252) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane.

Molecular Properties

Compound Name1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane
PubChem CID146614252
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane
SMILESC=C(CCC)C(C)(C)CCCCCOCCCCCC(C)(C)C(=C)OCC
InChIInChI=1S/C25H48O2/c1-9-17-22(3)24(5,6)18-13-11-15-20-26-21-16-12-14-19-25(7,8)23(4)27-10-2/h3-4,9-21H2,1-2,5-8H3
InChIKeyALKMAIPVUSXTGT-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
CID 144887236
2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
ethyl 6-[2-(6-bromo-2,2-dimethylhexanoyl)oxyethoxy]-2,2-dimethylhexanoate
CID 145082384
ethyl 6-(2,2-dimethylhexanoyloxy)-2,2-dimethylhexanoate
CID 175057143
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
8-heptoxy-2-methyloct-1-ene
CID 59205550
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
CID 140886143

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane?
The IUPAC name of 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane (CID 146614252) is 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane.
What is the SMILES notation for 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane?
The canonical SMILES for 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane is C=C(CCC)C(C)(C)CCCCCOCCCCCC(C)(C)C(=C)OCC.
What is the InChIKey of 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane?
The InChIKey is ALKMAIPVUSXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c1-9-17-22(3)24(5,6)18-13-11-15-20-26-21-16-12-14-19-25(7,8)23(4)27-10-2/h3-4,9-21H2,1-2,5-8H3.
What are the key properties of 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane?
1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane has a molecular weight of 380.66 g/mol, XLogP of 8.08, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-6,6-dimethyloct-7-enoxy)-6,6-dimethyl-7-methylidenedecane is sourced from PubChem (CID 146614252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).