5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane

C14H26O — CID 158426911

IUPAC5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
SMILESCC(C)(C)CC1CC2C=CC1C2.COC
InChIInChI=1S/C12H20.C2H6O/c1-12(2,3)8-11-7-9-4-5-10(11)6-9;1-3-2/h4-5,9-11H,6-8H2,1-3H3;1-2H3
InChIKeyHBDWHORODNHYSN-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds1

About 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane

5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane (PubChem CID 158426911) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
PubChem CID158426911
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
SMILESCC(C)(C)CC1CC2C=CC1C2.COC
InChIInChI=1S/C12H20.C2H6O/c1-12(2,3)8-11-7-9-4-5-10(11)6-9;1-3-2/h4-5,9-11H,6-8H2,1-3H3;1-2H3
InChIKeyHBDWHORODNHYSN-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane?
The IUPAC name of 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane (CID 158426911) is 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane.
What is the SMILES notation for 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane?
The canonical SMILES for 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane is CC(C)(C)CC1CC2C=CC1C2.COC.
What is the InChIKey of 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane?
The InChIKey is HBDWHORODNHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C2H6O/c1-12(2,3)8-11-7-9-4-5-10(11)6-9;1-3-2/h4-5,9-11H,6-8H2,1-3H3;1-2H3.
What are the key properties of 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane?
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane has a molecular weight of 210.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane is sourced from PubChem (CID 158426911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).