1-prop-1-enoxydecane

C13H26O — CID 54116737

IUPAC1-prop-1-enoxydecane
SMILESCC=COCCCCCCCCCC
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
InChIKeyNKVSKHXOCBYNLT-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds10

About 1-prop-1-enoxydecane

1-prop-1-enoxydecane (PubChem CID 54116737) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-prop-1-enoxydecane.

Molecular Properties

Compound Name1-prop-1-enoxydecane
PubChem CID54116737
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-prop-1-enoxydecane
SMILESCC=COCCCCCCCCCC
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
InChIKeyNKVSKHXOCBYNLT-UHFFFAOYSA-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

1,10-bis(prop-1-enoxy)decane
CID 54271291
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1-octa-1,6-dienoxyoctane
CID 88510416
1-[(E)-but-1-enoxy]heptane
CID 5366295
2-pentoxyethenol
CID 173159715
1-hex-2-enoxy-7-prop-1-enoxyheptane
CID 173319235
8-methyl-1-prop-1-enoxynonane
CID 152729157
1-prop-1-enoxy-4-(tributoxymethyl)dodecane
CID 150147229
1-hexoxyocta-1,3-diene
CID 149151620
3-octadecoxyprop-2-enenitrile
CID 174717457
trimethoxy(7-prop-1-enoxyheptyl)silane
CID 151084650

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxydecane?
The IUPAC name of 1-prop-1-enoxydecane (CID 54116737) is 1-prop-1-enoxydecane.
What is the SMILES notation for 1-prop-1-enoxydecane?
The canonical SMILES for 1-prop-1-enoxydecane is CC=COCCCCCCCCCC.
What is the InChIKey of 1-prop-1-enoxydecane?
The InChIKey is NKVSKHXOCBYNLT-UHFFFAOYSA-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.
What are the key properties of 1-prop-1-enoxydecane?
1-prop-1-enoxydecane 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-prop-1-enoxydecane is sourced from PubChem (CID 54116737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).