1-[(Prop-1-en-2-yl)oxy]dodecane

C15H30O — CID 71365772

IUPAC1-prop-1-en-2-yloxydodecane
SMILESCCCCCCCCCCCCOC(=C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h2,4-14H2,1,3H3
InChIKeyXSYWFEMDEVMTDC-UHFFFAOYSA-N
MW226.40 g/mol
LogP6.80
Rot. Bonds12

About 1-[(Prop-1-en-2-yl)oxy]dodecane

1-[(Prop-1-en-2-yl)oxy]dodecane (PubChem CID 71365772) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxydodecane.

Molecular Properties

Compound Name1-[(Prop-1-en-2-yl)oxy]dodecane
PubChem CID71365772
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-prop-1-en-2-yloxydodecane
SMILESCCCCCCCCCCCCOC(=C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h2,4-14H2,1,3H3
InChIKeyXSYWFEMDEVMTDC-UHFFFAOYSA-N
XLogP6.80
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity152

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 56.80
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

1-(2-Methylprop-1-enoxy)octane
CID 10679068
n-Octyloxyallene
CID 11052055
1-[(Z)-prop-1-enoxy]decane
CID 11805699
2-Ethoxynon-1-ene
CID 12385679
n-Octyl oxypropylene
CID 13709445
1-Prop-1-en-2-yloxyhexane
CID 20071898
Lauryl hexaoxyethylene
CID 21407036
Octylpentaoxyethylene
CID 22145314
Isopropenyl octadecyl ether
CID 22407739
2-Methylidene-oxacyclotridecane
CID 85608247
n-Octyl-pentaoxyethylene
CID 129682506
n-Dodecyl nonaoxyethylene
CID 129694971

Frequently Asked Questions

What is the IUPAC name of 1-[(Prop-1-en-2-yl)oxy]dodecane?
The IUPAC name of 1-[(Prop-1-en-2-yl)oxy]dodecane (CID 71365772) is 1-prop-1-en-2-yloxydodecane.
What is the SMILES notation for 1-[(Prop-1-en-2-yl)oxy]dodecane?
The canonical SMILES for 1-[(Prop-1-en-2-yl)oxy]dodecane is CCCCCCCCCCCCOC(=C)C.
What is the InChIKey of 1-[(Prop-1-en-2-yl)oxy]dodecane?
The InChIKey is XSYWFEMDEVMTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h2,4-14H2,1,3H3.
What are the key properties of 1-[(Prop-1-en-2-yl)oxy]dodecane?
1-[(Prop-1-en-2-yl)oxy]dodecane has a molecular weight of 226.40 g/mol, XLogP of 6.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Prop-1-en-2-yl)oxy]dodecane is sourced from PubChem (CID 71365772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).