(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one

C12H16O2 — CID 11622485

IUPAC(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one
SMILESCC1=C2C(=O)C[C@@H]3C[C@H](C)[C@@]2(CC1)O3
InChIInChI=1S/C12H16O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h8-9H,3-6H2,1-2H3/t8-,9-,12+/m0/s1
InChIKeyIILSGKMFEDSVNJ-HOTUBEGUSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds

About (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one

(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one (PubChem CID 11622485) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one.

Molecular Properties

Compound Name(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one
PubChem CID11622485
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one
SMILESCC1=C2C(=O)C[C@@H]3C[C@H](C)[C@@]2(CC1)O3
InChIInChI=1S/C12H16O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h8-9H,3-6H2,1-2H3/t8-,9-,12+/m0/s1
InChIKeyIILSGKMFEDSVNJ-HOTUBEGUSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one?
The IUPAC name of (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one (CID 11622485) is (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one.
What is the SMILES notation for (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one?
The canonical SMILES for (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one is CC1=C2C(=O)C[C@@H]3C[C@H](C)[C@@]2(CC1)O3.
What is the InChIKey of (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one?
The InChIKey is IILSGKMFEDSVNJ-HOTUBEGUSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h8-9H,3-6H2,1-2H3/t8-,9-,12+/m0/s1.
What are the key properties of (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one?
(1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10S)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-en-6-one is sourced from PubChem (CID 11622485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).