7,7-bis(ethenyl)-3-ethylundecane

C17H32 — CID 152731063

IUPAC7,7-bis(ethenyl)-3-ethylundecane
SMILESC=CC(C=C)(CCCC)CCCC(CC)CC
InChIInChI=1S/C17H32/c1-6-11-14-17(9-4,10-5)15-12-13-16(7-2)8-3/h9-10,16H,4-8,11-15H2,1-3H3
InChIKeyZXQCRENLNJOQPW-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.14
Rot. Bonds11

About 7,7-bis(ethenyl)-3-ethylundecane

7,7-bis(ethenyl)-3-ethylundecane (PubChem CID 152731063) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 7,7-bis(ethenyl)-3-ethylundecane.

Molecular Properties

Compound Name7,7-bis(ethenyl)-3-ethylundecane
PubChem CID152731063
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name7,7-bis(ethenyl)-3-ethylundecane
SMILESC=CC(C=C)(CCCC)CCCC(CC)CC
InChIInChI=1S/C17H32/c1-6-11-14-17(9-4,10-5)15-12-13-16(7-2)8-3/h9-10,16H,4-8,11-15H2,1-3H3
InChIKeyZXQCRENLNJOQPW-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.14
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

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(6R,9R)-3,9-diethyltridecan-6-ol
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3-ethylpentacosane
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3-ethylicosane
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3-ethyloctane;propane
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ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
3,7-diethylnonane
CID 22089120
3,6-diethylundecane
CID 22051817
ethane;3-ethylundecane
CID 144815521
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(ethenyl)-3-ethylundecane?
The IUPAC name of 7,7-bis(ethenyl)-3-ethylundecane (CID 152731063) is 7,7-bis(ethenyl)-3-ethylundecane.
What is the SMILES notation for 7,7-bis(ethenyl)-3-ethylundecane?
The canonical SMILES for 7,7-bis(ethenyl)-3-ethylundecane is C=CC(C=C)(CCCC)CCCC(CC)CC.
What is the InChIKey of 7,7-bis(ethenyl)-3-ethylundecane?
The InChIKey is ZXQCRENLNJOQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-11-14-17(9-4,10-5)15-12-13-16(7-2)8-3/h9-10,16H,4-8,11-15H2,1-3H3.
What are the key properties of 7,7-bis(ethenyl)-3-ethylundecane?
7,7-bis(ethenyl)-3-ethylundecane has a molecular weight of 236.44 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(ethenyl)-3-ethylundecane is sourced from PubChem (CID 152731063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).