3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane

C12H22O — CID 91700695

IUPAC3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCCOCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H22O/c1-4-13-8-11-9-5-6-10(7-9)12(11,2)3/h9-11H,4-8H2,1-3H3
InChIKeyVLYQRGGIMZWWTA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.10
Rot. Bonds3

About 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane

3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 91700695) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID91700695
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCCOCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H22O/c1-4-13-8-11-9-5-6-10(7-9)12(11,2)3/h9-11H,4-8H2,1-3H3
InChIKeyVLYQRGGIMZWWTA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethanol
CID 85998
2-Ethoxy-1,3,3-trimethylbicyclo(2.2.1)heptane
CID 106805
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-
CID 86113
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate
CID 86115
Camphancarbinol
CID 424677
2-[(1S,2R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-yl]ethan-1-ol
CID 102267718
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl propanoate
CID 44448309
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl acetate
CID 44448328
beta-Ethyl-3,3-dimethylbicyclo[2.2.1]heptane-2-butanol
CID 44147861
beta,3,3-Trimethylbicyclo(2.2.1)heptane-2-propanol
CID 44151492
[(1S,2S,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-yl]methanol
CID 12302323
(2-Methylbicyclo[2.2.1]heptan-2-yl)methanol
CID 296890

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane (CID 91700695) is 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane is CCOCC1C2CCC(C2)C1(C)C.
What is the InChIKey of 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is VLYQRGGIMZWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-13-8-11-9-5-6-10(7-9)12(11,2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane?
3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 91700695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).