1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene

C31H62O4 — CID 163205565

IUPAC1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
SMILESCCCCCCCOC(CCCCCCCCCCCC=COCOCC)OCCCCCCC
InChIInChI=1S/C31H62O4/c1-4-7-9-19-24-28-34-31(35-29-25-20-10-8-5-2)26-22-18-16-14-12-11-13-15-17-21-23-27-33-30-32-6-3/h23,27,31H,4-22,24-26,28-30H2,1-3H3
InChIKeyRMQDCOJDBFMBGU-UHFFFAOYSA-N
MW498.83 g/mol
LogP10.10
Rot. Bonds30

About 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene

1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene (PubChem CID 163205565) has the molecular formula C31H62O4 and a molecular weight of 498.83 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene.

Molecular Properties

Compound Name1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
PubChem CID163205565
Molecular FormulaC31H62O4
Molecular Weight498.83 g/mol
Exact Mass498.46
IUPAC Name1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
SMILESCCCCCCCOC(CCCCCCCCCCCC=COCOCC)OCCCCCCC
InChIInChI=1S/C31H62O4/c1-4-7-9-19-24-28-34-31(35-29-25-20-10-8-5-2)26-22-18-16-14-12-11-13-15-17-21-23-27-33-30-32-6-3/h23,27,31H,4-22,24-26,28-30H2,1-3H3
InChIKeyRMQDCOJDBFMBGU-UHFFFAOYSA-N
XLogP10.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.83
LogP ≤ 510.10
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'}

Analyze 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
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
1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene?
The IUPAC name of 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene (CID 163205565) is 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene.
What is the SMILES notation for 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene?
The canonical SMILES for 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene is CCCCCCCOC(CCCCCCCCCCCC=COCOCC)OCCCCCCC.
What is the InChIKey of 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene?
The InChIKey is RMQDCOJDBFMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O4/c1-4-7-9-19-24-28-34-31(35-29-25-20-10-8-5-2)26-22-18-16-14-12-11-13-15-17-21-23-27-33-30-32-6-3/h23,27,31H,4-22,24-26,28-30H2,1-3H3.
What are the key properties of 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene?
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene has a molecular weight of 498.83 g/mol, XLogP of 10.10, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene is sourced from PubChem (CID 163205565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).