(E)-1-methoxytridec-1-ene

C14H28O — CID 87204968

IUPAC(E)-1-methoxytridec-1-ene
SMILESCCCCCCCCCCC/C=C/OC
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h13-14H,3-12H2,1-2H3/b14-13+
InChIKeyPKRODGQTKCAWOG-BUHFOSPRSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds11

About (E)-1-methoxytridec-1-ene

(E)-1-methoxytridec-1-ene (PubChem CID 87204968) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-1-methoxytridec-1-ene.

Molecular Properties

Compound Name(E)-1-methoxytridec-1-ene
PubChem CID87204968
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(E)-1-methoxytridec-1-ene
SMILESCCCCCCCCCCC/C=C/OC
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h13-14H,3-12H2,1-2H3/b14-13+
InChIKeyPKRODGQTKCAWOG-BUHFOSPRSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
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

(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxyhept-1-ene
CID 11126280
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
1-hydroperoxyundec-1-ene
CID 140553152
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
oct-1-enyl hypoiodite
CID 88820135
7-methoxyhept-6-en-1-ol
CID 85279707
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxytridec-1-ene?
The IUPAC name of (E)-1-methoxytridec-1-ene (CID 87204968) is (E)-1-methoxytridec-1-ene.
What is the SMILES notation for (E)-1-methoxytridec-1-ene?
The canonical SMILES for (E)-1-methoxytridec-1-ene is CCCCCCCCCCC/C=C/OC.
What is the InChIKey of (E)-1-methoxytridec-1-ene?
The InChIKey is PKRODGQTKCAWOG-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h13-14H,3-12H2,1-2H3/b14-13+.
What are the key properties of (E)-1-methoxytridec-1-ene?
(E)-1-methoxytridec-1-ene has a molecular weight of 212.38 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxytridec-1-ene is sourced from PubChem (CID 87204968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).