(E)-1-ethoxy-4-methyltridec-1-ene

C16H32O — CID 102052028

IUPAC(E)-1-ethoxy-4-methyltridec-1-ene
SMILESCCCCCCCCCC(C)C/C=C/OCC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-13-16(3)14-12-15-17-5-2/h12,15-16H,4-11,13-14H2,1-3H3/b15-12+
InChIKeyCNBNTZWRCJGPRJ-NTCAYCPXSA-N
MW240.43 g/mol
LogP5.70
Rot. Bonds12

About (E)-1-ethoxy-4-methyltridec-1-ene

(E)-1-ethoxy-4-methyltridec-1-ene (PubChem CID 102052028) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-1-ethoxy-4-methyltridec-1-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-4-methyltridec-1-ene
PubChem CID102052028
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(E)-1-ethoxy-4-methyltridec-1-ene
SMILESCCCCCCCCCC(C)C/C=C/OCC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-13-16(3)14-12-15-17-5-2/h12,15-16H,4-11,13-14H2,1-3H3/b15-12+
InChIKeyCNBNTZWRCJGPRJ-NTCAYCPXSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.70
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

(E)-6-methylhexadec-3-ene
CID 173194211
(Z)-1-ethoxy-4-methylhex-1-ene
CID 11400836
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
(E)-10-methyloctadec-7-ene
CID 173194246
9,16-dimethyltetracos-11-ene
CID 123705440
5-methyltridec-2-en-1-ol
CID 139697199
8-methyltridec-5-ene
CID 123857568
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
(E)-5-methyltetradec-7-ene
CID 173194503
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
CID 141011255

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-4-methyltridec-1-ene?
The IUPAC name of (E)-1-ethoxy-4-methyltridec-1-ene (CID 102052028) is (E)-1-ethoxy-4-methyltridec-1-ene.
What is the SMILES notation for (E)-1-ethoxy-4-methyltridec-1-ene?
The canonical SMILES for (E)-1-ethoxy-4-methyltridec-1-ene is CCCCCCCCCC(C)C/C=C/OCC.
What is the InChIKey of (E)-1-ethoxy-4-methyltridec-1-ene?
The InChIKey is CNBNTZWRCJGPRJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H32O/c1-4-6-7-8-9-10-11-13-16(3)14-12-15-17-5-2/h12,15-16H,4-11,13-14H2,1-3H3/b15-12+.
What are the key properties of (E)-1-ethoxy-4-methyltridec-1-ene?
(E)-1-ethoxy-4-methyltridec-1-ene has a molecular weight of 240.43 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-4-methyltridec-1-ene is sourced from PubChem (CID 102052028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).