zinc;butan-2-ylbenzene;methane;propylbenzene;styrene

C37H48Zn — CID 160942387

IUPACzinc;butan-2-ylbenzene;methane;propylbenzene;styrene
SMILESC.C=Cc1ccccc1.CCC(C)c1ccccc1.CC[CH-]c1ccccc1.CC[CH-]c1ccccc1.[Zn+2]
InChIInChI=1S/C10H14.2C9H11.C8H8.CH4.Zn/c1-3-9(2)10-7-5-4-6-8-10;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;;/h4-9H,3H2,1-2H3;2*3-8H,2H2,1H3;2-7H,1H2;1H4;/q;2*-1;;;+2
InChIKeySURBCZNFZCLDIG-UHFFFAOYSA-N
MW558.18 g/mol
LogP11.46
Rot. Bonds7

About zinc;butan-2-ylbenzene;methane;propylbenzene;styrene

zinc;butan-2-ylbenzene;methane;propylbenzene;styrene (PubChem CID 160942387) has the molecular formula C37H48Zn and a molecular weight of 558.18 g/mol. Its IUPAC name is zinc;butan-2-ylbenzene;methane;propylbenzene;styrene.

Molecular Properties

Compound Namezinc;butan-2-ylbenzene;methane;propylbenzene;styrene
PubChem CID160942387
Molecular FormulaC37H48Zn
Molecular Weight558.18 g/mol
Exact Mass556.30
IUPAC Namezinc;butan-2-ylbenzene;methane;propylbenzene;styrene
SMILESC.C=Cc1ccccc1.CCC(C)c1ccccc1.CC[CH-]c1ccccc1.CC[CH-]c1ccccc1.[Zn+2]
InChIInChI=1S/C10H14.2C9H11.C8H8.CH4.Zn/c1-3-9(2)10-7-5-4-6-8-10;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;;/h4-9H,3H2,1-2H3;2*3-8H,2H2,1H3;2-7H,1H2;1H4;/q;2*-1;;;+2
InChIKeySURBCZNFZCLDIG-UHFFFAOYSA-N
XLogP11.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.18
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butan-2-ylbenzene;ethenylbenzene;tungsten;dihydrate
CID 159917104
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854
butane;butan-2-ylbenzene;1,2-diethylbenzene;2-methylprop-1-ene;prop-1-ene
CID 143604805
lithium;benzene;butane;styrene
CID 174564068
benzene;ethane;styrene
CID 21219610
N-ethyl-N-propan-2-ylpropan-2-amine;styrene
CID 66882584
ethylbenzene;methane;styrene;hydrate
CID 169425917
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198
(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)
CID 161464073
chloromethane;styrene
CID 122701035
methyl(triphenyl)phosphanium;styrene
CID 174886967

Frequently Asked Questions

What is the IUPAC name of zinc;butan-2-ylbenzene;methane;propylbenzene;styrene?
The IUPAC name of zinc;butan-2-ylbenzene;methane;propylbenzene;styrene (CID 160942387) is zinc;butan-2-ylbenzene;methane;propylbenzene;styrene.
What is the SMILES notation for zinc;butan-2-ylbenzene;methane;propylbenzene;styrene?
The canonical SMILES for zinc;butan-2-ylbenzene;methane;propylbenzene;styrene is C.C=Cc1ccccc1.CCC(C)c1ccccc1.CC[CH-]c1ccccc1.CC[CH-]c1ccccc1.[Zn+2].
What is the InChIKey of zinc;butan-2-ylbenzene;methane;propylbenzene;styrene?
The InChIKey is SURBCZNFZCLDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C9H11.C8H8.CH4.Zn/c1-3-9(2)10-7-5-4-6-8-10;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;;/h4-9H,3H2,1-2H3;2*3-8H,2H2,1H3;2-7H,1H2;1H4;/q;2*-1;;;+2.
What are the key properties of zinc;butan-2-ylbenzene;methane;propylbenzene;styrene?
zinc;butan-2-ylbenzene;methane;propylbenzene;styrene has a molecular weight of 558.18 g/mol, XLogP of 11.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butan-2-ylbenzene;methane;propylbenzene;styrene is sourced from PubChem (CID 160942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).