4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene

C16H30O2 — CID 58816996

IUPAC4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene
SMILESCOCC1(COC)CC(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C16H30O2/c1-12-13(2)15(5,6)16(10-17-7,11-18-8)9-14(12,3)4/h9-11H2,1-8H3
InChIKeyOEJMOTMSQJBPLF-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.06
Rot. Bonds4

About 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene

4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene (PubChem CID 58816996) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene
PubChem CID58816996
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene
SMILESCOCC1(COC)CC(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C16H30O2/c1-12-13(2)15(5,6)16(10-17-7,11-18-8)9-14(12,3)4/h9-11H2,1-8H3
InChIKeyOEJMOTMSQJBPLF-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
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 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene?
The IUPAC name of 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene (CID 58816996) is 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene.
What is the SMILES notation for 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene?
The canonical SMILES for 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene is COCC1(COC)CC(C)(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene?
The InChIKey is OEJMOTMSQJBPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12-13(2)15(5,6)16(10-17-7,11-18-8)9-14(12,3)4/h9-11H2,1-8H3.
What are the key properties of 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene?
4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene has a molecular weight of 254.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene is sourced from PubChem (CID 58816996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).