3-methoxy-10-octoxydec-1-ene

C19H38O2 — CID 141054986

IUPAC3-methoxy-10-octoxydec-1-ene
SMILESC=CC(CCCCCCCOCCCCCCCC)OC
InChIInChI=1S/C19H38O2/c1-4-6-7-8-11-14-17-21-18-15-12-9-10-13-16-19(5-2)20-3/h5,19H,2,4,6-18H2,1,3H3
InChIKeyYZOORNIRTORGEJ-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.91
Rot. Bonds17

About 3-methoxy-10-octoxydec-1-ene

3-methoxy-10-octoxydec-1-ene (PubChem CID 141054986) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 3-methoxy-10-octoxydec-1-ene.

Molecular Properties

Compound Name3-methoxy-10-octoxydec-1-ene
PubChem CID141054986
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name3-methoxy-10-octoxydec-1-ene
SMILESC=CC(CCCCCCCOCCCCCCCC)OC
InChIInChI=1S/C19H38O2/c1-4-6-7-8-11-14-17-21-18-15-12-9-10-13-16-19(5-2)20-3/h5,19H,2,4,6-18H2,1,3H3
InChIKeyYZOORNIRTORGEJ-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxynon-1-ene
CID 12563924
3-propoxynonadec-1-ene
CID 87204997
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
buta-1,3-diene;1-pentoxypentane
CID 87924219
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10-octoxydec-1-ene?
The IUPAC name of 3-methoxy-10-octoxydec-1-ene (CID 141054986) is 3-methoxy-10-octoxydec-1-ene.
What is the SMILES notation for 3-methoxy-10-octoxydec-1-ene?
The canonical SMILES for 3-methoxy-10-octoxydec-1-ene is C=CC(CCCCCCCOCCCCCCCC)OC.
What is the InChIKey of 3-methoxy-10-octoxydec-1-ene?
The InChIKey is YZOORNIRTORGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-4-6-7-8-11-14-17-21-18-15-12-9-10-13-16-19(5-2)20-3/h5,19H,2,4,6-18H2,1,3H3.
What are the key properties of 3-methoxy-10-octoxydec-1-ene?
3-methoxy-10-octoxydec-1-ene has a molecular weight of 298.51 g/mol, XLogP of 5.91, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10-octoxydec-1-ene is sourced from PubChem (CID 141054986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).