1-(2-ethylhex-1-enoxy)decane

C18H36O — CID 166758323

IUPAC1-(2-ethylhex-1-enoxy)decane
SMILESCCCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C18H36O/c1-4-7-9-10-11-12-13-14-16-19-17-18(6-3)15-8-5-2/h17H,4-16H2,1-3H3
InChIKeyVUQPXEVGDQUYKE-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.63
Rot. Bonds14

About 1-(2-ethylhex-1-enoxy)decane

1-(2-ethylhex-1-enoxy)decane (PubChem CID 166758323) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-(2-ethylhex-1-enoxy)decane.

Molecular Properties

Compound Name1-(2-ethylhex-1-enoxy)decane
PubChem CID166758323
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-(2-ethylhex-1-enoxy)decane
SMILESCCCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C18H36O/c1-4-7-9-10-11-12-13-14-16-19-17-18(6-3)15-8-5-2/h17H,4-16H2,1-3H3
InChIKeyVUQPXEVGDQUYKE-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(butoxymethylidene)pentane
CID 22234811
11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
CID 162425525
3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
CID 91103741
1-(2-methylprop-1-enoxy)heptane
CID 22234809
(E)-4-[2-(2-ethylhex-1-enoxy)ethoxy]-4-oxobut-2-enoic acid
CID 87835598
1-pentoxyprop-1-en-2-ol
CID 173004017
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
5-ethyltetradec-5-ene
CID 54129215
[(E)-2-ethylhex-1-enyl] (Z)-octadec-9-enoate
CID 102127431
1-ethenoxytriacontane
CID 14647805
hexacosyl formate
CID 87446465
6-ethyltridec-6-ene
CID 123238287

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhex-1-enoxy)decane?
The IUPAC name of 1-(2-ethylhex-1-enoxy)decane (CID 166758323) is 1-(2-ethylhex-1-enoxy)decane.
What is the SMILES notation for 1-(2-ethylhex-1-enoxy)decane?
The canonical SMILES for 1-(2-ethylhex-1-enoxy)decane is CCCCCCCCCCOC=C(CC)CCCC.
What is the InChIKey of 1-(2-ethylhex-1-enoxy)decane?
The InChIKey is VUQPXEVGDQUYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-7-9-10-11-12-13-14-16-19-17-18(6-3)15-8-5-2/h17H,4-16H2,1-3H3.
What are the key properties of 1-(2-ethylhex-1-enoxy)decane?
1-(2-ethylhex-1-enoxy)decane has a molecular weight of 268.48 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhex-1-enoxy)decane is sourced from PubChem (CID 166758323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).