butane;2,2-dimethylpropane;ethane;pentane;propane;styrene

C141H190 — CID 158403421

IUPACbutane;2,2-dimethylpropane;ethane;pentane;propane;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC.CCCCC
InChIInChI=1S/14C8H8.2C5H12.C4H10.C3H8.6C2H6/c14*1-2-8-6-4-3-5-7-8;1-5(2,3)4;1-3-5-4-2;1-3-4-2;1-3-2;6*1-2/h14*2-7H,1H2;1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1-2H3
InChIKeyGYJPFVCNXMOUOX-UHFFFAOYSA-N
MW1885.07 g/mol
LogP46.24
Rot. Bonds17

About butane;2,2-dimethylpropane;ethane;pentane;propane;styrene

butane;2,2-dimethylpropane;ethane;pentane;propane;styrene (PubChem CID 158403421) has the molecular formula C141H190 and a molecular weight of 1885.07 g/mol. Its IUPAC name is butane;2,2-dimethylpropane;ethane;pentane;propane;styrene.

Molecular Properties

Compound Namebutane;2,2-dimethylpropane;ethane;pentane;propane;styrene
PubChem CID158403421
Molecular FormulaC141H190
Molecular Weight1885.07 g/mol
Exact Mass1883.49
IUPAC Namebutane;2,2-dimethylpropane;ethane;pentane;propane;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC.CCCCC
InChIInChI=1S/14C8H8.2C5H12.C4H10.C3H8.6C2H6/c14*1-2-8-6-4-3-5-7-8;1-5(2,3)4;1-3-5-4-2;1-3-4-2;1-3-2;6*1-2/h14*2-7H,1H2;1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1-2H3
InChIKeyGYJPFVCNXMOUOX-UHFFFAOYSA-N
XLogP46.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001885.07
LogP ≤ 546.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylpropane;ethane;pentane;propane;styrene?
The IUPAC name of butane;2,2-dimethylpropane;ethane;pentane;propane;styrene (CID 158403421) is butane;2,2-dimethylpropane;ethane;pentane;propane;styrene.
What is the SMILES notation for butane;2,2-dimethylpropane;ethane;pentane;propane;styrene?
The canonical SMILES for butane;2,2-dimethylpropane;ethane;pentane;propane;styrene is C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC.CCCCC.
What is the InChIKey of butane;2,2-dimethylpropane;ethane;pentane;propane;styrene?
The InChIKey is GYJPFVCNXMOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/14C8H8.2C5H12.C4H10.C3H8.6C2H6/c14*1-2-8-6-4-3-5-7-8;1-5(2,3)4;1-3-5-4-2;1-3-4-2;1-3-2;6*1-2/h14*2-7H,1H2;1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1-2H3.
What are the key properties of butane;2,2-dimethylpropane;ethane;pentane;propane;styrene?
butane;2,2-dimethylpropane;ethane;pentane;propane;styrene has a molecular weight of 1885.07 g/mol, XLogP of 46.24, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-dimethylpropane;ethane;pentane;propane;styrene is sourced from PubChem (CID 158403421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).