6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane

C16H30O2 — CID 70502775

IUPAC6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
SMILESCOC.COC(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O.C2H6O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5;1-3-2/h7-9,12-13H,6,10H2,1-5H3;1-2H3/b9-8+;
InChIKeyFGUUPEOUHZVLSB-HRNDJLQDSA-N
MW254.41 g/mol
LogP4.22
Rot. Bonds3

About 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane

6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane (PubChem CID 70502775) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane.

Molecular Properties

Compound Name6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
PubChem CID70502775
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
SMILESCOC.COC(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O.C2H6O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5;1-3-2/h7-9,12-13H,6,10H2,1-5H3;1-2H3/b9-8+;
InChIKeyFGUUPEOUHZVLSB-HRNDJLQDSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.22
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 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane?
The IUPAC name of 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane (CID 70502775) is 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane.
What is the SMILES notation for 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane?
The canonical SMILES for 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane is COC.COC(C)/C=C/C1C(C)=CCCC1(C)C.
What is the InChIKey of 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane?
The InChIKey is FGUUPEOUHZVLSB-HRNDJLQDSA-N. The full InChI is InChI=1S/C14H24O.C2H6O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5;1-3-2/h7-9,12-13H,6,10H2,1-5H3;1-2H3/b9-8+;.
What are the key properties of 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane?
6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane has a molecular weight of 254.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane is sourced from PubChem (CID 70502775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).