6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran

C20H20O — CID 15499305

IUPAC6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran
SMILESCC1=C(C)CC(=C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C20H20O/c1-15-13-19(21-14-16(15)2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyNXRNXZJBCYBVHE-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.20
Rot. Bonds2

About 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran

6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran (PubChem CID 15499305) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran.

Molecular Properties

Compound Name6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran
PubChem CID15499305
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran
SMILESCC1=C(C)CC(=C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C20H20O/c1-15-13-19(21-14-16(15)2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyNXRNXZJBCYBVHE-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran?
The IUPAC name of 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran (CID 15499305) is 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran.
What is the SMILES notation for 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran?
The canonical SMILES for 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran is CC1=C(C)CC(=C(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran?
The InChIKey is NXRNXZJBCYBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-15-13-19(21-14-16(15)2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3.
What are the key properties of 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran?
6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran has a molecular weight of 276.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydrylidene-3,4-dimethyl-2,5-dihydropyran is sourced from PubChem (CID 15499305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).