1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one

C13H18O2 — CID 589666

IUPAC1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one
SMILESCOC12CC(=O)CC1(C)C1CCC3C1C32
InChIInChI=1S/C13H18O2/c1-12-5-7(14)6-13(12,15-2)11-8-3-4-9(12)10(8)11/h8-11H,3-6H2,1-2H3
InChIKeyVSIJDTPOOGGWEW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.03
Rot. Bonds1

About 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one

1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one (PubChem CID 589666) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one.

Molecular Properties

Compound Name1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one
PubChem CID589666
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one
SMILESCOC12CC(=O)CC1(C)C1CCC3C1C32
InChIInChI=1S/C13H18O2/c1-12-5-7(14)6-13(12,15-2)11-8-3-4-9(12)10(8)11/h8-11H,3-6H2,1-2H3
InChIKeyVSIJDTPOOGGWEW-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one?
The IUPAC name of 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one (CID 589666) is 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one.
What is the SMILES notation for 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one?
The canonical SMILES for 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one is COC12CC(=O)CC1(C)C1CCC3C1C32.
What is the InChIKey of 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one?
The InChIKey is VSIJDTPOOGGWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-12-5-7(14)6-13(12,15-2)11-8-3-4-9(12)10(8)11/h8-11H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one?
1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one has a molecular weight of 206.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one is sourced from PubChem (CID 589666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).