8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne

C17H28O2 — CID 71367519

IUPAC8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(C)=C=C(CC)CC
InChIInChI=1S/C17H28O2/c1-7-10-17(13-18-5,14-19-6)12-15(4)11-16(8-2)9-3/h1H,8-10,12-14H2,2-6H3
InChIKeyGREORTBJSLRRKX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.97
Rot. Bonds9

About 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne

8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne (PubChem CID 71367519) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne.

Molecular Properties

Compound Name8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne
PubChem CID71367519
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(C)=C=C(CC)CC
InChIInChI=1S/C17H28O2/c1-7-10-17(13-18-5,14-19-6)12-15(4)11-16(8-2)9-3/h1H,8-10,12-14H2,2-6H3
InChIKeyGREORTBJSLRRKX-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne?
The IUPAC name of 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne (CID 71367519) is 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne.
What is the SMILES notation for 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne?
The canonical SMILES for 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne is C#CCC(COC)(COC)CC(C)=C=C(CC)CC.
What is the InChIKey of 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne?
The InChIKey is GREORTBJSLRRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-7-10-17(13-18-5,14-19-6)12-15(4)11-16(8-2)9-3/h1H,8-10,12-14H2,2-6H3.
What are the key properties of 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne?
8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne has a molecular weight of 264.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne is sourced from PubChem (CID 71367519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).