4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne

C14H22O2 — CID 102217715

IUPAC4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(C)=C=CC
InChIInChI=1S/C14H22O2/c1-6-8-13(3)10-14(9-7-2,11-15-4)12-16-5/h2,6H,9-12H2,1,3-5H3
InChIKeyVQIWIBMLRNHMHP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds7

About 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne

4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne (PubChem CID 102217715) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne
PubChem CID102217715
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(C)=C=CC
InChIInChI=1S/C14H22O2/c1-6-8-13(3)10-14(9-7-2,11-15-4)12-16-5/h2,6H,9-12H2,1,3-5H3
InChIKeyVQIWIBMLRNHMHP-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-Nonadien-1-yne, 4,4-bis(methoxymethyl)-6,8-dimethyl-
CID 12104345
6,6-Bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne
CID 71367518
4,4-Bis(methoxymethyl)hept-1-en-6-yne
CID 85821449
5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
4,4,9,9-Tetrakis(methoxymethyl)-2-methyldodec-1-en-6,11-diyne
CID 135080120
4,4-Bis(methoxymethyl)-8-methylnona-6,7-dien-1-yne
CID 12104344
8-Ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne
CID 71367519
6,6-Bis(methoxymethyl)-2,4-dimethylundeca-2,3-dien-8-yne
CID 85963670
6-Tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne
CID 24865694
6,6-Bis(methoxymethyl)-2-methyldeca-2,3-dien-8-yne
CID 85963664
8-Methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne
CID 86231626
10,10,10-Trideuterio-6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne
CID 101726767

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne?
The IUPAC name of 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne (CID 102217715) is 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne.
What is the SMILES notation for 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne?
The canonical SMILES for 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne is C#CCC(COC)(COC)CC(C)=C=CC.
What is the InChIKey of 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne?
The InChIKey is VQIWIBMLRNHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-8-13(3)10-14(9-7-2,11-15-4)12-16-5/h2,6H,9-12H2,1,3-5H3.
What are the key properties of 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne?
4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne has a molecular weight of 222.33 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne is sourced from PubChem (CID 102217715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).