(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane

C22H24O2 — CID 138983360

IUPAC(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC=C1OC2(c3ccccc3)OC1(c1ccccc1)[C@@H](C)[C@@H](C)[C@H]2C
InChIInChI=1S/C22H24O2/c1-15-16(2)21(19-11-7-5-8-12-19)18(4)23-22(24-21,17(15)3)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3/t15-,16+,17-,21?,22?/m1/s1
InChIKeyQQZLNHIGIYWRLI-XYOLMSGHSA-N
MW320.43 g/mol
LogP5.22
Rot. Bonds2

About (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane

(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 138983360) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID138983360
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC=C1OC2(c3ccccc3)OC1(c1ccccc1)[C@@H](C)[C@@H](C)[C@H]2C
InChIInChI=1S/C22H24O2/c1-15-16(2)21(19-11-7-5-8-12-19)18(4)23-22(24-21,17(15)3)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3/t15-,16+,17-,21?,22?/m1/s1
InChIKeyQQZLNHIGIYWRLI-XYOLMSGHSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1S,5S)-2,3,4-trimethyl-7-methylidene-1,5-dithiophen-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 44542389
3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
(1S,8R,9R,12S)-10,11-dimethylidene-1,8-diphenyl-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6-triene
CID 177491347
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102371178
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
2-methylidene-3,3-diphenyloxetane
CID 102532792
CID 88517637
CID 88517637
(1R,3R,5S)-7-methylidene-1,3,5-triphenyl-6,8-dioxabicyclo[3.2.1]octane
CID 71725837

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane (CID 138983360) is (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane is C=C1OC2(c3ccccc3)OC1(c1ccccc1)[C@@H](C)[C@@H](C)[C@H]2C.
What is the InChIKey of (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is QQZLNHIGIYWRLI-XYOLMSGHSA-N. The full InChI is InChI=1S/C22H24O2/c1-15-16(2)21(19-11-7-5-8-12-19)18(4)23-22(24-21,17(15)3)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3/t15-,16+,17-,21?,22?/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
(2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 320.43 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4-trimethyl-7-methylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 138983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).