1-[(Z)-but-1-enyl]-2,10-dimethylanthracene

C20H20 — CID 145447971

IUPAC1-[(Z)-but-1-enyl]-2,10-dimethylanthracene
SMILESCC/C=C\c1c(C)ccc2c(C)c3ccccc3cc12
InChIInChI=1S/C20H20/c1-4-5-9-17-14(2)11-12-19-15(3)18-10-7-6-8-16(18)13-20(17)19/h5-13H,4H2,1-3H3/b9-5-
InChIKeyNEVMASALBLNOQZ-UITAMQMPSA-N
MW260.38 g/mol
LogP6.03
Rot. Bonds2

About 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene

1-[(Z)-but-1-enyl]-2,10-dimethylanthracene (PubChem CID 145447971) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-2,10-dimethylanthracene
PubChem CID145447971
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-[(Z)-but-1-enyl]-2,10-dimethylanthracene
SMILESCC/C=C\c1c(C)ccc2c(C)c3ccccc3cc12
InChIInChI=1S/C20H20/c1-4-5-9-17-14(2)11-12-19-15(3)18-10-7-6-8-16(18)13-20(17)19/h5-13H,4H2,1-3H3/b9-5-
InChIKeyNEVMASALBLNOQZ-UITAMQMPSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobut-1-enyl)-2-methylnaphthalene
CID 170498133
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
9-methylanthracene;naphthalene
CID 142881908
9-pent-1-enylanthracene
CID 173045692
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
1-ethenyl-2-methylphenanthrene
CID 18927842
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
9-[8-[(Z)-but-1-enyl]-7-methylnaphthalen-2-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 154952289

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene?
The IUPAC name of 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene (CID 145447971) is 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene?
The canonical SMILES for 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene is CC/C=C\c1c(C)ccc2c(C)c3ccccc3cc12.
What is the InChIKey of 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene?
The InChIKey is NEVMASALBLNOQZ-UITAMQMPSA-N. The full InChI is InChI=1S/C20H20/c1-4-5-9-17-14(2)11-12-19-15(3)18-10-7-6-8-16(18)13-20(17)19/h5-13H,4H2,1-3H3/b9-5-.
What are the key properties of 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene?
1-[(Z)-but-1-enyl]-2,10-dimethylanthracene has a molecular weight of 260.38 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-2,10-dimethylanthracene is sourced from PubChem (CID 145447971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).