(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene

C14H28O2 — CID 19985393

IUPAC(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene
SMILESC/C=C/CC(CCC(C)C)(COC)COC
InChIInChI=1S/C14H28O2/c1-6-7-9-14(11-15-4,12-16-5)10-8-13(2)3/h6-7,13H,8-12H2,1-5H3/b7-6+
InChIKeyJKZUPYLLIBBVDS-VOTSOKGWSA-N
MW228.38 g/mol
LogP3.67
Rot. Bonds9

About (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene

(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene (PubChem CID 19985393) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene.

Molecular Properties

Compound Name(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene
PubChem CID19985393
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene
SMILESC/C=C/CC(CCC(C)C)(COC)COC
InChIInChI=1S/C14H28O2/c1-6-7-9-14(11-15-4,12-16-5)10-8-13(2)3/h6-7,13H,8-12H2,1-5H3/b7-6+
InChIKeyJKZUPYLLIBBVDS-VOTSOKGWSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene?
The IUPAC name of (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene (CID 19985393) is (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene.
What is the SMILES notation for (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene?
The canonical SMILES for (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene is C/C=C/CC(CCC(C)C)(COC)COC.
What is the InChIKey of (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene?
The InChIKey is JKZUPYLLIBBVDS-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-9-14(11-15-4,12-16-5)10-8-13(2)3/h6-7,13H,8-12H2,1-5H3/b7-6+.
What are the key properties of (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene?
(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene has a molecular weight of 228.38 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene is sourced from PubChem (CID 19985393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).