2-hexoxytetradec-1-ene

C20H40O — CID 21407036

IUPAC2-hexoxytetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3
InChIKeyZPGXRXCGXVAGAO-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.41
Rot. Bonds17

About 2-hexoxytetradec-1-ene

2-hexoxytetradec-1-ene (PubChem CID 21407036) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-hexoxytetradec-1-ene.

Molecular Properties

Compound Name2-hexoxytetradec-1-ene
PubChem CID21407036
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-hexoxytetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3
InChIKeyZPGXRXCGXVAGAO-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.41
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

(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
1-Hexylvinyl methyl ether
CID 551732
cis-7,8-Epoxy-2-methyl-1-octadecene
CID 18466383
2-Ethoxynon-1-ene
CID 12385679
1,2-Epoxy hexadecene
CID 18172944
1-(3-Butenyloxy)hexadecane
CID 19866525
Epoxy-eicosene
CID 20465854
Isopropenyl octadecyl ether
CID 22407739
cis-9,10-Epoxynonadecene
CID 57481007
1-[(Prop-1-en-2-yl)oxy]dodecane
CID 71365772
2-Methylidene-oxacyclotridecane
CID 85608247
Epoxynonadecene
CID 91445376

Frequently Asked Questions

What is the IUPAC name of 2-hexoxytetradec-1-ene?
The IUPAC name of 2-hexoxytetradec-1-ene (CID 21407036) is 2-hexoxytetradec-1-ene.
What is the SMILES notation for 2-hexoxytetradec-1-ene?
The canonical SMILES for 2-hexoxytetradec-1-ene is C=C(CCCCCCCCCCCC)OCCCCCC.
What is the InChIKey of 2-hexoxytetradec-1-ene?
The InChIKey is ZPGXRXCGXVAGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3.
What are the key properties of 2-hexoxytetradec-1-ene?
2-hexoxytetradec-1-ene has a molecular weight of 296.54 g/mol, XLogP of 7.41, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxytetradec-1-ene is sourced from PubChem (CID 21407036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).