1-[(E)-prop-1-enoxy]decane

C13H26O — CID 15357019

IUPAC1-[(E)-prop-1-enoxy]decane
SMILESC/C=C/OCCCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4,12H,3,5-11,13H2,1-2H3/b12-4+
InChIKeyNKVSKHXOCBYNLT-UUILKARUSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds10

About 1-[(E)-prop-1-enoxy]decane

1-[(E)-prop-1-enoxy]decane (PubChem CID 15357019) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]decane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]decane
PubChem CID15357019
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-[(E)-prop-1-enoxy]decane
SMILESC/C=C/OCCCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4,12H,3,5-11,13H2,1-2H3/b12-4+
InChIKeyNKVSKHXOCBYNLT-UUILKARUSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
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

Decane, 1-(ethenyloxy)-
CID 12999
Lauryl vinyl ether
CID 69826
1-Decene, 10-methoxy-
CID 3085890
1-(Vinyloxy)octane
CID 70249
Nonane, 1-(ethenyloxy)-
CID 11240733
Heptane, 1-(1-butenyloxy)-, (E)-
CID 5366295
1-(2-Methylprop-1-enoxy)octane
CID 10679068
n-Octyloxyallene
CID 11052055
1-[(Z)-prop-1-enoxy]decane
CID 11805699
n-Octyl oxypropylene
CID 13709445
Undecanyl vinyl ether
CID 14647796
11-Methoxyundec-1-ene
CID 15635905

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enoxy]decane?
The IUPAC name of 1-[(E)-prop-1-enoxy]decane (CID 15357019) is 1-[(E)-prop-1-enoxy]decane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]decane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]decane is C/C=C/OCCCCCCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enoxy]decane?
The InChIKey is NKVSKHXOCBYNLT-UUILKARUSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4,12H,3,5-11,13H2,1-2H3/b12-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]decane?
1-[(E)-prop-1-enoxy]decane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enoxy]decane is sourced from PubChem (CID 15357019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).