3-(1,1-diethoxyethyl)-2-methylundec-1-ene

C18H36O2 — CID 151940396

IUPAC3-(1,1-diethoxyethyl)-2-methylundec-1-ene
SMILESC=C(C)C(CCCCCCCC)C(C)(OCC)OCC
InChIInChI=1S/C18H36O2/c1-7-10-11-12-13-14-15-17(16(4)5)18(6,19-8-2)20-9-3/h17H,4,7-15H2,1-3,5-6H3
InChIKeyTUNQXLHROWQTRL-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.72
Rot. Bonds13

About 3-(1,1-diethoxyethyl)-2-methylundec-1-ene

3-(1,1-diethoxyethyl)-2-methylundec-1-ene (PubChem CID 151940396) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 3-(1,1-diethoxyethyl)-2-methylundec-1-ene.

Molecular Properties

Compound Name3-(1,1-diethoxyethyl)-2-methylundec-1-ene
PubChem CID151940396
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name3-(1,1-diethoxyethyl)-2-methylundec-1-ene
SMILESC=C(C)C(CCCCCCCC)C(C)(OCC)OCC
InChIInChI=1S/C18H36O2/c1-7-10-11-12-13-14-15-17(16(4)5)18(6,19-8-2)20-9-3/h17H,4,7-15H2,1-3,5-6H3
InChIKeyTUNQXLHROWQTRL-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.72
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-diethoxyethyl)-2-methylundec-1-ene?
The IUPAC name of 3-(1,1-diethoxyethyl)-2-methylundec-1-ene (CID 151940396) is 3-(1,1-diethoxyethyl)-2-methylundec-1-ene.
What is the SMILES notation for 3-(1,1-diethoxyethyl)-2-methylundec-1-ene?
The canonical SMILES for 3-(1,1-diethoxyethyl)-2-methylundec-1-ene is C=C(C)C(CCCCCCCC)C(C)(OCC)OCC.
What is the InChIKey of 3-(1,1-diethoxyethyl)-2-methylundec-1-ene?
The InChIKey is TUNQXLHROWQTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-7-10-11-12-13-14-15-17(16(4)5)18(6,19-8-2)20-9-3/h17H,4,7-15H2,1-3,5-6H3.
What are the key properties of 3-(1,1-diethoxyethyl)-2-methylundec-1-ene?
3-(1,1-diethoxyethyl)-2-methylundec-1-ene has a molecular weight of 284.48 g/mol, XLogP of 5.72, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diethoxyethyl)-2-methylundec-1-ene is sourced from PubChem (CID 151940396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).