(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene

C8H10O — CID 89411945

IUPAC(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene
SMILESC[C@H]1OC2CC=CC=C21
InChIInChI=1S/C8H10O/c1-6-7-4-2-3-5-8(7)9-6/h2-4,6,8H,5H2,1H3/t6-,8?/m1/s1
InChIKeyRJSKXMNLCGHVMV-XPJFZRNWSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene

(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene (PubChem CID 89411945) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene.

Molecular Properties

Compound Name(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene
PubChem CID89411945
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene
SMILESC[C@H]1OC2CC=CC=C21
InChIInChI=1S/C8H10O/c1-6-7-4-2-3-5-8(7)9-6/h2-4,6,8H,5H2,1H3/t6-,8?/m1/s1
InChIKeyRJSKXMNLCGHVMV-XPJFZRNWSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91147
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CID 12503534
4-methyl-6-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyran
CID 12576399
Biphenylenoxyd
CID 87407906
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
2-Ethyl-6-fluoro-5-pentoxycyclohexa-1,3-diene
CID 144971681
2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxetane
CID 146222547
4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 91333642
1-Ethenyl-6-methoxycyclohexene
CID 11029907
3,5-Dimethyl-2,6,7,7a-tetrahydro-1-benzofuran
CID 11205858
(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
CID 11355996

Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene?
The IUPAC name of (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene (CID 89411945) is (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene.
What is the SMILES notation for (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene?
The canonical SMILES for (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene is C[C@H]1OC2CC=CC=C21.
What is the InChIKey of (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene?
The InChIKey is RJSKXMNLCGHVMV-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H10O/c1-6-7-4-2-3-5-8(7)9-6/h2-4,6,8H,5H2,1H3/t6-,8?/m1/s1.
What are the key properties of (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene?
(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene is sourced from PubChem (CID 89411945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).