(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane

C20H18 — CID 101186507

IUPAC(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane
SMILESC(=C(c1ccccc1)c1ccccc1)=C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C20H18/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)14-20-17-12-7-13-18(17)20/h1-6,8-11,17-18H,7,12-13H2/t17-,18+
InChIKeySAIQLJUVYDJJQN-HDICACEKSA-N
MW258.36 g/mol
LogP5.07
Rot. Bonds2

About (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane

(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane (PubChem CID 101186507) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane
PubChem CID101186507
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane
SMILESC(=C(c1ccccc1)c1ccccc1)=C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C20H18/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)14-20-17-12-7-13-18(17)20/h1-6,8-11,17-18H,7,12-13H2/t17-,18+
InChIKeySAIQLJUVYDJJQN-HDICACEKSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane
CID 135072018
(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
CID 154719860
(1S)-2-(2,2-diphenylethenylidene)cyclohexan-1-ol
CID 134977363
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
cyclopentyl(phenyl)methanethione
CID 91757146
2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane
CID 71425206
2,2-diphenylethenylidenetungsten
CID 11081645
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone
CID 57105838
(2-methylcyclopentyl)benzene
CID 12600454

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane (CID 101186507) is (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane is C(=C(c1ccccc1)c1ccccc1)=C1[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane?
The InChIKey is SAIQLJUVYDJJQN-HDICACEKSA-N. The full InChI is InChI=1S/C20H18/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)14-20-17-12-7-13-18(17)20/h1-6,8-11,17-18H,7,12-13H2/t17-,18+.
What are the key properties of (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane?
(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane has a molecular weight of 258.36 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane is sourced from PubChem (CID 101186507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).