ethene;3-methylbutylbenzene

C13H20 — CID 145421013

IUPACethene;3-methylbutylbenzene
SMILESC=C.CC(C)CCc1ccccc1
InChIInChI=1S/C11H16.C2H4/c1-10(2)8-9-11-6-4-3-5-7-11;1-2/h3-7,10H,8-9H2,1-2H3;1-2H2
InChIKeyZORVXSRRSGKVCD-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.08
Rot. Bonds3

About ethene;3-methylbutylbenzene

ethene;3-methylbutylbenzene (PubChem CID 145421013) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethene;3-methylbutylbenzene.

Molecular Properties

Compound Nameethene;3-methylbutylbenzene
PubChem CID145421013
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethene;3-methylbutylbenzene
SMILESC=C.CC(C)CCc1ccccc1
InChIInChI=1S/C11H16.C2H4/c1-10(2)8-9-11-6-4-3-5-7-11;1-2/h3-7,10H,8-9H2,1-2H3;1-2H2
InChIKeyZORVXSRRSGKVCD-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
(2R)-4-phenylbutane-2-thiol
CID 28974861
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
CID 91605370
trimethyl(2-phenylethyl)phosphanium
CID 10777798
CID 173414157
CID 173414157
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
3,4-dimethylhexylbenzene
CID 72602417
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of ethene;3-methylbutylbenzene?
The IUPAC name of ethene;3-methylbutylbenzene (CID 145421013) is ethene;3-methylbutylbenzene.
What is the SMILES notation for ethene;3-methylbutylbenzene?
The canonical SMILES for ethene;3-methylbutylbenzene is C=C.CC(C)CCc1ccccc1.
What is the InChIKey of ethene;3-methylbutylbenzene?
The InChIKey is ZORVXSRRSGKVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H4/c1-10(2)8-9-11-6-4-3-5-7-11;1-2/h3-7,10H,8-9H2,1-2H3;1-2H2.
What are the key properties of ethene;3-methylbutylbenzene?
ethene;3-methylbutylbenzene has a molecular weight of 176.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methylbutylbenzene is sourced from PubChem (CID 145421013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).