(9E)-9-(methoxymethylidene)tetradec-1-ene

C16H30O — CID 101198481

IUPAC(9E)-9-(methoxymethylidene)tetradec-1-ene
SMILESC=CCCCCCC/C(=C/OC)CCCCC
InChIInChI=1S/C16H30O/c1-4-6-8-9-10-12-14-16(15-17-3)13-11-7-5-2/h4,15H,1,5-14H2,2-3H3/b16-15+
InChIKeyIVRRVBVPUFCNLR-FOCLMDBBSA-N
MW238.41 g/mol
LogP5.62
Rot. Bonds12

About (9E)-9-(methoxymethylidene)tetradec-1-ene

(9E)-9-(methoxymethylidene)tetradec-1-ene (PubChem CID 101198481) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (9E)-9-(methoxymethylidene)tetradec-1-ene.

Molecular Properties

Compound Name(9E)-9-(methoxymethylidene)tetradec-1-ene
PubChem CID101198481
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(9E)-9-(methoxymethylidene)tetradec-1-ene
SMILESC=CCCCCCC/C(=C/OC)CCCCC
InChIInChI=1S/C16H30O/c1-4-6-8-9-10-12-14-16(15-17-3)13-11-7-5-2/h4,15H,1,5-14H2,2-3H3/b16-15+
InChIKeyIVRRVBVPUFCNLR-FOCLMDBBSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.62
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Decene, 1-ethoxy-
CID 53422433
1-Methoxydecene
CID 6365701
1-Methoxydec-1-ene
CID 3018221
(E)-1-ethoxydec-1-ene
CID 21972057
alpha-Octadec-1-enyl ether
CID 54273952
Hexadec-1-enyl ether
CID 57140599
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxyundec-1-ene
CID 11480871
(E)-1-methoxynon-1-ene
CID 11805015
(Methoxymethylene)cyclododecane
CID 12553326
(1E)-1-methoxy-1-pentadecene
CID 13215972
Octenyl ether
CID 23352955

Frequently Asked Questions

What is the IUPAC name of (9E)-9-(methoxymethylidene)tetradec-1-ene?
The IUPAC name of (9E)-9-(methoxymethylidene)tetradec-1-ene (CID 101198481) is (9E)-9-(methoxymethylidene)tetradec-1-ene.
What is the SMILES notation for (9E)-9-(methoxymethylidene)tetradec-1-ene?
The canonical SMILES for (9E)-9-(methoxymethylidene)tetradec-1-ene is C=CCCCCCC/C(=C/OC)CCCCC.
What is the InChIKey of (9E)-9-(methoxymethylidene)tetradec-1-ene?
The InChIKey is IVRRVBVPUFCNLR-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H30O/c1-4-6-8-9-10-12-14-16(15-17-3)13-11-7-5-2/h4,15H,1,5-14H2,2-3H3/b16-15+.
What are the key properties of (9E)-9-(methoxymethylidene)tetradec-1-ene?
(9E)-9-(methoxymethylidene)tetradec-1-ene has a molecular weight of 238.41 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-(methoxymethylidene)tetradec-1-ene is sourced from PubChem (CID 101198481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).