11,11-diethoxy-1-(methoxymethoxy)undec-1-ene

C17H34O4 — CID 162392533

IUPAC11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
SMILESCCOC(CCCCCCCCC=COCOC)OCC
InChIInChI=1S/C17H34O4/c1-4-20-17(21-5-2)14-12-10-8-6-7-9-11-13-15-19-16-18-3/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyBHYVQAMHAUWDAN-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.64
Rot. Bonds16

About 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene

11,11-diethoxy-1-(methoxymethoxy)undec-1-ene (PubChem CID 162392533) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene.

Molecular Properties

Compound Name11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
PubChem CID162392533
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
SMILESCCOC(CCCCCCCCC=COCOC)OCC
InChIInChI=1S/C17H34O4/c1-4-20-17(21-5-2)14-12-10-8-6-7-9-11-13-15-19-16-18-3/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyBHYVQAMHAUWDAN-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781
1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344
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
17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
CID 163205994
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
16,16-diethoxyhexadec-3-ene
CID 91492223
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565

Frequently Asked Questions

What is the IUPAC name of 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene?
The IUPAC name of 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene (CID 162392533) is 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene.
What is the SMILES notation for 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene?
The canonical SMILES for 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene is CCOC(CCCCCCCCC=COCOC)OCC.
What is the InChIKey of 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene?
The InChIKey is BHYVQAMHAUWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-4-20-17(21-5-2)14-12-10-8-6-7-9-11-13-15-19-16-18-3/h13,15,17H,4-12,14,16H2,1-3H3.
What are the key properties of 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene?
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene has a molecular weight of 302.46 g/mol, XLogP of 4.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diethoxy-1-(methoxymethoxy)undec-1-ene is sourced from PubChem (CID 162392533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).