(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane

C20H20O — CID 139254376

IUPAC(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane
SMILESC=C1C[C@@H](c2ccccc2)O[C@@H](Cc2ccccc2)C1=C
InChIInChI=1S/C20H20O/c1-15-13-20(18-11-7-4-8-12-18)21-19(16(15)2)14-17-9-5-3-6-10-17/h3-12,19-20H,1-2,13-14H2/t19-,20-/m0/s1
InChIKeyPYDJGDHHPBEXIA-PMACEKPBSA-N
MW276.38 g/mol
LogP4.87
Rot. Bonds3

About (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane

(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane (PubChem CID 139254376) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane.

Molecular Properties

Compound Name(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane
PubChem CID139254376
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane
SMILESC=C1C[C@@H](c2ccccc2)O[C@@H](Cc2ccccc2)C1=C
InChIInChI=1S/C20H20O/c1-15-13-20(18-11-7-4-8-12-18)21-19(16(15)2)14-17-9-5-3-6-10-17/h3-12,19-20H,1-2,13-14H2/t19-,20-/m0/s1
InChIKeyPYDJGDHHPBEXIA-PMACEKPBSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2S,5S)-3-ethenylidene-5-phenyloxolan-2-yl]propan-1-ol
CID 102157853
2,6-diphenyloxan-4-one
CID 500287
(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
CID 24774784
(2R,3S,6S)-4-methylidene-6-phenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 146166198
4-methylidene-2-phenyloxolane
CID 11084168
2-benzyl-5-phenyl-1,2-oxazolidin-3-one
CID 15731349
(1R,3S)-1-[(benzylamino)methyl]-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
CID 67676397
5-phenyl-4,5-dihydrooxadiazole
CID 154572908
2-phenyloxirane
CID 7276
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
5-phenyloxolane-2,3-dione
CID 14450727
2-benzyl-5-(prop-2-enoxymethyl)oxolan-3-one
CID 12987408

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane?
The IUPAC name of (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane (CID 139254376) is (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane.
What is the SMILES notation for (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane?
The canonical SMILES for (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane is C=C1C[C@@H](c2ccccc2)O[C@@H](Cc2ccccc2)C1=C.
What is the InChIKey of (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane?
The InChIKey is PYDJGDHHPBEXIA-PMACEKPBSA-N. The full InChI is InChI=1S/C20H20O/c1-15-13-20(18-11-7-4-8-12-18)21-19(16(15)2)14-17-9-5-3-6-10-17/h3-12,19-20H,1-2,13-14H2/t19-,20-/m0/s1.
What are the key properties of (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane?
(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane has a molecular weight of 276.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane is sourced from PubChem (CID 139254376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).