1-(methoxymethoxy)hexadec-1-ene

C18H36O2 — CID 175225374

IUPAC1-(methoxymethoxy)hexadec-1-ene
SMILESCCCCCCCCCCCCCCC=COCOC
InChIInChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h16-17H,3-15,18H2,1-2H3
InChIKeyKJCFMVPDAJTGLY-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.21
Rot. Bonds16

About 1-(methoxymethoxy)hexadec-1-ene

1-(methoxymethoxy)hexadec-1-ene (PubChem CID 175225374) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-(methoxymethoxy)hexadec-1-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)hexadec-1-ene
PubChem CID175225374
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1-(methoxymethoxy)hexadec-1-ene
SMILESCCCCCCCCCCCCCCC=COCOC
InChIInChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h16-17H,3-15,18H2,1-2H3
InChIKeyKJCFMVPDAJTGLY-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781
9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
CID 162392647
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
CID 163205855
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
CID 162392753
1-ethoxytridec-1-ene
CID 173032013
1-ethoxyundec-1-ene
CID 71331710
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxytridec-1-ene
CID 87204968

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)hexadec-1-ene?
The IUPAC name of 1-(methoxymethoxy)hexadec-1-ene (CID 175225374) is 1-(methoxymethoxy)hexadec-1-ene.
What is the SMILES notation for 1-(methoxymethoxy)hexadec-1-ene?
The canonical SMILES for 1-(methoxymethoxy)hexadec-1-ene is CCCCCCCCCCCCCCC=COCOC.
What is the InChIKey of 1-(methoxymethoxy)hexadec-1-ene?
The InChIKey is KJCFMVPDAJTGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h16-17H,3-15,18H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)hexadec-1-ene?
1-(methoxymethoxy)hexadec-1-ene has a molecular weight of 284.48 g/mol, XLogP of 6.21, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)hexadec-1-ene is sourced from PubChem (CID 175225374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).