butane;2-methylbuta-1,3-diene;styrene

C17H26 — CID 161435264

IUPACbutane;2-methylbuta-1,3-diene;styrene
SMILESC=CC(=C)C.C=Cc1ccccc1.CCCC
InChIInChI=1S/C8H8.C5H8.C4H10/c1-2-8-6-4-3-5-7-8;1-4-5(2)3;1-3-4-2/h2-7H,1H2;4H,1-2H2,3H3;3-4H2,1-2H3
InChIKeyVYOHKJSIPXUYJD-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.88
Rot. Bonds3

About butane;2-methylbuta-1,3-diene;styrene

butane;2-methylbuta-1,3-diene;styrene (PubChem CID 161435264) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is butane;2-methylbuta-1,3-diene;styrene.

Molecular Properties

Compound Namebutane;2-methylbuta-1,3-diene;styrene
PubChem CID161435264
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Namebutane;2-methylbuta-1,3-diene;styrene
SMILESC=CC(=C)C.C=Cc1ccccc1.CCCC
InChIInChI=1S/C8H8.C5H8.C4H10/c1-2-8-6-4-3-5-7-8;1-4-5(2)3;1-3-4-2/h2-7H,1H2;4H,1-2H2,3H3;3-4H2,1-2H3
InChIKeyVYOHKJSIPXUYJD-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
2-methylbuta-1,3-diene;oxirane;styrene
CID 175188083
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
2-methylbuta-1,3-diene;penta-1,2,4-triene;styrene
CID 174829799
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CID 174564068
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
benzene;ethane;styrene
CID 21219610
hex-3-en-2-one;styrene
CID 159171709
2-chlorobuta-1,3-diene;styrene
CID 146314687
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215

Frequently Asked Questions

What is the IUPAC name of butane;2-methylbuta-1,3-diene;styrene?
The IUPAC name of butane;2-methylbuta-1,3-diene;styrene (CID 161435264) is butane;2-methylbuta-1,3-diene;styrene.
What is the SMILES notation for butane;2-methylbuta-1,3-diene;styrene?
The canonical SMILES for butane;2-methylbuta-1,3-diene;styrene is C=CC(=C)C.C=Cc1ccccc1.CCCC.
What is the InChIKey of butane;2-methylbuta-1,3-diene;styrene?
The InChIKey is VYOHKJSIPXUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H8.C4H10/c1-2-8-6-4-3-5-7-8;1-4-5(2)3;1-3-4-2/h2-7H,1H2;4H,1-2H2,3H3;3-4H2,1-2H3.
What are the key properties of butane;2-methylbuta-1,3-diene;styrene?
butane;2-methylbuta-1,3-diene;styrene has a molecular weight of 230.39 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylbuta-1,3-diene;styrene is sourced from PubChem (CID 161435264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).