1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane

C12H22O — CID 121016313

IUPAC1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCOCCC12CCC(CC1)C2(C)C
InChIInChI=1S/C12H22O/c1-11(2)10-4-6-12(11,7-5-10)8-9-13-3/h10H,4-9H2,1-3H3
InChIKeyRNVPVSRCQVYYFE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane

1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 121016313) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane
PubChem CID121016313
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCOCCC12CCC(CC1)C2(C)C
InChIInChI=1S/C12H22O/c1-11(2)10-4-6-12(11,7-5-10)8-9-13-3/h10H,4-9H2,1-3H3
InChIKeyRNVPVSRCQVYYFE-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-(methoxymethyl)-1,2,2-trimethylpyrrolidine
CID 168880974
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylmethanamine;hydrochloride
CID 155858598
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 13039165
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
1-(2-methoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390369
1-(2-methoxyethyl)-1,3-dimethylcyclobutane
CID 162359702
1-(2-methoxyethyl)-6,6-dimethylpiperidine-3-carboxylic acid
CID 117021222
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
(2,5-dioxo-3,4-diphenylpyrrol-1-yl) (7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 18327206
ethane;1-(2-methoxyethyl)-1-(methoxymethyl)cyclopentane
CID 143807089
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane (CID 121016313) is 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane is COCCC12CCC(CC1)C2(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is RNVPVSRCQVYYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)10-4-6-12(11,7-5-10)8-9-13-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane?
1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 121016313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).