9-[(Z)-but-2-enyl]-2,9-dimethylxanthene

C19H20O — CID 142509927

IUPAC9-[(Z)-but-2-enyl]-2,9-dimethylxanthene
SMILESC/C=C\CC1(C)c2ccccc2Oc2ccc(C)cc21
InChIInChI=1S/C19H20O/c1-4-5-12-19(3)15-8-6-7-9-17(15)20-18-11-10-14(2)13-16(18)19/h4-11,13H,12H2,1-3H3/b5-4-
InChIKeyMAGJTZIFPPPCNT-PLNGDYQASA-N
MW264.37 g/mol
LogP5.37
Rot. Bonds2

About 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene

9-[(Z)-but-2-enyl]-2,9-dimethylxanthene (PubChem CID 142509927) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene.

Molecular Properties

Compound Name9-[(Z)-but-2-enyl]-2,9-dimethylxanthene
PubChem CID142509927
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name9-[(Z)-but-2-enyl]-2,9-dimethylxanthene
SMILESC/C=C\CC1(C)c2ccccc2Oc2ccc(C)cc21
InChIInChI=1S/C19H20O/c1-4-5-12-19(3)15-8-6-7-9-17(15)20-18-11-10-14(2)13-16(18)19/h4-11,13H,12H2,1-3H3/b5-4-
InChIKeyMAGJTZIFPPPCNT-PLNGDYQASA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
(9-methylxanthen-9-yl)methanol
CID 57435258
3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561837
9,9-bis(3-methylphenyl)xanthene
CID 23542272
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
CID 11267934
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
N,N,9-trimethylxanthen-9-amine
CID 68833214
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole
CID 101124309
1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]
CID 163489937

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene?
The IUPAC name of 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene (CID 142509927) is 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene.
What is the SMILES notation for 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene?
The canonical SMILES for 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene is C/C=C\CC1(C)c2ccccc2Oc2ccc(C)cc21.
What is the InChIKey of 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene?
The InChIKey is MAGJTZIFPPPCNT-PLNGDYQASA-N. The full InChI is InChI=1S/C19H20O/c1-4-5-12-19(3)15-8-6-7-9-17(15)20-18-11-10-14(2)13-16(18)19/h4-11,13H,12H2,1-3H3/b5-4-.
What are the key properties of 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene?
9-[(Z)-but-2-enyl]-2,9-dimethylxanthene has a molecular weight of 264.37 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-but-2-enyl]-2,9-dimethylxanthene is sourced from PubChem (CID 142509927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).