3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane

C17H28O — CID 70911526

IUPAC3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane
SMILESCOCCC1CC(C)C2C3CC(C4CCCC43)C12
InChIInChI=1S/C17H28O/c1-10-8-11(6-7-18-2)17-15-9-14(16(10)17)12-4-3-5-13(12)15/h10-17H,3-9H2,1-2H3
InChIKeyWNGDYVRAZIEUKA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.98
Rot. Bonds3

About 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane

3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane (PubChem CID 70911526) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane
PubChem CID70911526
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane
SMILESCOCCC1CC(C)C2C3CC(C4CCCC43)C12
InChIInChI=1S/C17H28O/c1-10-8-11(6-7-18-2)17-15-9-14(16(10)17)12-4-3-5-13(12)15/h10-17H,3-9H2,1-2H3
InChIKeyWNGDYVRAZIEUKA-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
1-ethyl-2-(2-methoxyethyl)cyclopentane
CID 177070820
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
5,7-diethylhexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane
CID 59460136
(1S,2S,3R,4S,6S,7S,8R,9S,12R)-4-(6-methoxyhexyl)pentacyclo[6.4.0.02,7.03,6.09,12]dodecane
CID 162882406
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
3-(2-methoxyethyl)-2-methyloxolane
CID 134557214
2-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61382219

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane?
The IUPAC name of 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane (CID 70911526) is 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane is COCCC1CC(C)C2C3CC(C4CCCC43)C12.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane?
The InChIKey is WNGDYVRAZIEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-10-8-11(6-7-18-2)17-15-9-14(16(10)17)12-4-3-5-13(12)15/h10-17H,3-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane?
3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane has a molecular weight of 248.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyltetracyclo[5.5.1.02,6.08,12]tridecane is sourced from PubChem (CID 70911526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).