2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene

C21H18O2 — CID 134105962

IUPAC2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene
SMILESC1=CC23OC1CC2COC3=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)20-21-12-11-18(23-21)13-17(21)14-22-20/h1-12,17-18H,13-14H2
InChIKeyGWIXNDRSAGCCFN-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.19
Rot. Bonds2

About 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene

2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene (PubChem CID 134105962) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene.

Molecular Properties

Compound Name2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene
PubChem CID134105962
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene
SMILESC1=CC23OC1CC2COC3=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)20-21-12-11-18(23-21)13-17(21)14-22-20/h1-12,17-18H,13-14H2
InChIKeyGWIXNDRSAGCCFN-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174764540
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CID 134873760
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CID 132509890
(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
CID 174518097
(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
CID 21120382
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl benzoate
CID 71662878
CID 10801751
CID 10801751
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
oxiran-2-ylmethyl benzenecarbodithioate
CID 155725175
(2-bromo-2-adamantyl)-phenylmethanone
CID 10245377

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene?
The IUPAC name of 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene (CID 134105962) is 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene.
What is the SMILES notation for 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene?
The canonical SMILES for 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene is C1=CC23OC1CC2COC3=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene?
The InChIKey is GWIXNDRSAGCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)20-21-12-11-18(23-21)13-17(21)14-22-20/h1-12,17-18H,13-14H2.
What are the key properties of 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene?
2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene has a molecular weight of 302.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidene-3,10-dioxatricyclo[5.2.1.01,5]dec-8-ene is sourced from PubChem (CID 134105962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).