8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene

C25H48O2 — CID 90848441

IUPAC8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene
SMILESC=CCCCCC(CC)C(COCC)C(C)OC=CCCCC(CC)CC
InChIInChI=1S/C25H48O2/c1-7-12-13-16-19-24(10-4)25(21-26-11-5)22(6)27-20-17-14-15-18-23(8-2)9-3/h7,17,20,22-25H,1,8-16,18-19,21H2,2-6H3
InChIKeyRTXOVMJRTWASLQ-UHFFFAOYSA-N
MW380.66 g/mol
LogP7.94
Rot. Bonds19

About 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene

8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene (PubChem CID 90848441) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene.

Molecular Properties

Compound Name8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene
PubChem CID90848441
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene
SMILESC=CCCCCC(CC)C(COCC)C(C)OC=CCCCC(CC)CC
InChIInChI=1S/C25H48O2/c1-7-12-13-16-19-24(10-4)25(21-26-11-5)22(6)27-20-17-14-15-18-23(8-2)9-3/h7,17,20,22-25H,1,8-16,18-19,21H2,2-6H3
InChIKeyRTXOVMJRTWASLQ-UHFFFAOYSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 57.94
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thromboxene
CID 57129285
10-(3-Fluoropropoxy)-3,6,7-trimethylundec-1-ene
CID 144978930
4-Butyl-3-octyl-2-prop-2-enyloxolane
CID 15438011
7-Ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
11-Butoxy-8,9-diethylundec-1-ene
CID 17825245
11-Ethoxy-8-propylundec-1-ene
CID 17825249
2,3-dimethyl-2-(2-methylpent-4-enyl)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydro-3H-cyclododeca[b]furan
CID 20430925
2-But-3-enyl-3-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
CID 20430947
2,4,8-Trimethyl-6-non-8-enoxynonane
CID 23466500
3-Oct-1-enoxybutylcyclohexane
CID 57057316
2-Oct-1-enoxybutylcyclohexane
CID 57122972
1-Oct-1-enoxypropylcyclohexane
CID 57124495

Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene?
The IUPAC name of 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene (CID 90848441) is 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene.
What is the SMILES notation for 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene?
The canonical SMILES for 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene is C=CCCCCC(CC)C(COCC)C(C)OC=CCCCC(CC)CC.
What is the InChIKey of 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene?
The InChIKey is RTXOVMJRTWASLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c1-7-12-13-16-19-24(10-4)25(21-26-11-5)22(6)27-20-17-14-15-18-23(8-2)9-3/h7,17,20,22-25H,1,8-16,18-19,21H2,2-6H3.
What are the key properties of 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene?
8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene has a molecular weight of 380.66 g/mol, XLogP of 7.94, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene is sourced from PubChem (CID 90848441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).