(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one

C10H10O2 — CID 175754568

IUPAC(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one
SMILESCC1=C[C@H]2C(=O)[C@@H]1[C@H]1C=CO[C@@H]12
InChIInChI=1S/C10H10O2/c1-5-4-7-9(11)8(5)6-2-3-12-10(6)7/h2-4,6-8,10H,1H3/t6-,7+,8+,10+/m1/s1
InChIKeyMQIACKIUVUKEHY-VEVYYDQMSA-N
MW162.19 g/mol
LogP1.29
Rot. Bonds

About (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one

(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one (PubChem CID 175754568) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one.

Molecular Properties

Compound Name(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one
PubChem CID175754568
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one
SMILESCC1=C[C@H]2C(=O)[C@@H]1[C@H]1C=CO[C@@H]12
InChIInChI=1S/C10H10O2/c1-5-4-7-9(11)8(5)6-2-3-12-10(6)7/h2-4,6-8,10H,1H3/t6-,7+,8+,10+/m1/s1
InChIKeyMQIACKIUVUKEHY-VEVYYDQMSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one?
The IUPAC name of (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one (CID 175754568) is (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one.
What is the SMILES notation for (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one?
The canonical SMILES for (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one is CC1=C[C@H]2C(=O)[C@@H]1[C@H]1C=CO[C@@H]12.
What is the InChIKey of (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one?
The InChIKey is MQIACKIUVUKEHY-VEVYYDQMSA-N. The full InChI is InChI=1S/C10H10O2/c1-5-4-7-9(11)8(5)6-2-3-12-10(6)7/h2-4,6-8,10H,1H3/t6-,7+,8+,10+/m1/s1.
What are the key properties of (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one?
(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one has a molecular weight of 162.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one is sourced from PubChem (CID 175754568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).