3-methoxybicyclo[4.3.2]undecane

C12H22O — CID 66596863

IUPAC3-methoxybicyclo[4.3.2]undecane
SMILESCOC1CCC2CCCC(CC2)C1
InChIInChI=1S/C12H22O/c1-13-12-8-7-10-3-2-4-11(9-12)6-5-10/h10-12H,2-9H2,1H3
InChIKeyXNWQRRSMSZVBKK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds1

About 3-methoxybicyclo[4.3.2]undecane

3-methoxybicyclo[4.3.2]undecane (PubChem CID 66596863) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methoxybicyclo[4.3.2]undecane.

Molecular Properties

Compound Name3-methoxybicyclo[4.3.2]undecane
PubChem CID66596863
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methoxybicyclo[4.3.2]undecane
SMILESCOC1CCC2CCCC(CC2)C1
InChIInChI=1S/C12H22O/c1-13-12-8-7-10-3-2-4-11(9-12)6-5-10/h10-12H,2-9H2,1H3
InChIKeyXNWQRRSMSZVBKK-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybicyclo[4.3.2]undecane?
The IUPAC name of 3-methoxybicyclo[4.3.2]undecane (CID 66596863) is 3-methoxybicyclo[4.3.2]undecane.
What is the SMILES notation for 3-methoxybicyclo[4.3.2]undecane?
The canonical SMILES for 3-methoxybicyclo[4.3.2]undecane is COC1CCC2CCCC(CC2)C1.
What is the InChIKey of 3-methoxybicyclo[4.3.2]undecane?
The InChIKey is XNWQRRSMSZVBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-13-12-8-7-10-3-2-4-11(9-12)6-5-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-methoxybicyclo[4.3.2]undecane?
3-methoxybicyclo[4.3.2]undecane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybicyclo[4.3.2]undecane is sourced from PubChem (CID 66596863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).