(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene

C15H30O2 — CID 19985347

IUPAC(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene
SMILESCC/C(C)=C/CC(COC)(COC)CC(C)C
InChIInChI=1S/C15H30O2/c1-7-14(4)8-9-15(11-16-5,12-17-6)10-13(2)3/h8,13H,7,9-12H2,1-6H3/b14-8+
InChIKeySMWOHIVBVYXSTD-RIYZIHGNSA-N
MW242.40 g/mol
LogP4.06
Rot. Bonds9

About (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene

(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene (PubChem CID 19985347) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene.

Molecular Properties

Compound Name(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene
PubChem CID19985347
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene
SMILESCC/C(C)=C/CC(COC)(COC)CC(C)C
InChIInChI=1S/C15H30O2/c1-7-14(4)8-9-15(11-16-5,12-17-6)10-13(2)3/h8,13H,7,9-12H2,1-6H3/b14-8+
InChIKeySMWOHIVBVYXSTD-RIYZIHGNSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.06
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)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene?
The IUPAC name of (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene (CID 19985347) is (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene.
What is the SMILES notation for (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene?
The canonical SMILES for (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene is CC/C(C)=C/CC(COC)(COC)CC(C)C.
What is the InChIKey of (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene?
The InChIKey is SMWOHIVBVYXSTD-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-14(4)8-9-15(11-16-5,12-17-6)10-13(2)3/h8,13H,7,9-12H2,1-6H3/b14-8+.
What are the key properties of (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene?
(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene has a molecular weight of 242.40 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene is sourced from PubChem (CID 19985347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).