(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne

C14H24O3 — CID 102214139

IUPAC(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
SMILESCC#CCC(C/C=C/COC)(COC)COC
InChIInChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7+
InChIKeyRZUILXVNKJCFGD-BQYQJAHWSA-N
MW240.34 g/mol
LogP2.27
Rot. Bonds9

About (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne

(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne (PubChem CID 102214139) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne.

Molecular Properties

Compound Name(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
PubChem CID102214139
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
SMILESCC#CCC(C/C=C/COC)(COC)COC
InChIInChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7+
InChIKeyRZUILXVNKJCFGD-BQYQJAHWSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
(E)-7-methoxy-4,4-dimethylhept-5-en-1-yne
CID 101809587
(6E)-8-methoxy-4,4-dimethylocta-1,6-diene
CID 135014810
3-Ethyl-3-(octa-2,7-dienoxymethyl)oxetane
CID 54419268
3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
CID 67789044
(5S)-5-butoxy-4,4-dimethyloct-6-en-1-yne
CID 173596142
5-Butoxy-4,4-dimethyloct-6-en-1-yne
CID 173596144
4,4-Bis(prop-2-enoxymethyl)cyclopentene
CID 86214873
(E)-4,4-bis(methoxymethyl)oct-6-en-1-yne
CID 101031936
4,4-Bis(methoxymethyl)-8-prop-2-enoxyoct-1-en-6-yne
CID 101697458
(2Z)-1-Methoxy-5,5-bis(methoxymethyl)-2-nonen-7-yne
CID 102151055

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The IUPAC name of (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne (CID 102214139) is (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne.
What is the SMILES notation for (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The canonical SMILES for (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne is CC#CCC(C/C=C/COC)(COC)COC.
What is the InChIKey of (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The InChIKey is RZUILXVNKJCFGD-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7+.
What are the key properties of (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne has a molecular weight of 240.34 g/mol, XLogP of 2.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne is sourced from PubChem (CID 102214139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).