ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene

C17H28 — CID 162530177

IUPACethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene
SMILESC=CCC(C=C)C(CC)C1=CCCC=C1.CC
InChIInChI=1S/C15H22.C2H6/c1-4-10-13(5-2)15(6-3)14-11-8-7-9-12-14;1-2/h4-5,8,11-13,15H,1-2,6-7,9-10H2,3H3;1-2H3
InChIKeyXKKBOFKYEKRKIU-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.69
Rot. Bonds6

About ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene

ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene (PubChem CID 162530177) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene
PubChem CID162530177
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene
SMILESC=CCC(C=C)C(CC)C1=CCCC=C1.CC
InChIInChI=1S/C15H22.C2H6/c1-4-10-13(5-2)15(6-3)14-11-8-7-9-12-14;1-2/h4-5,8,11-13,15H,1-2,6-7,9-10H2,3H3;1-2H3
InChIKeyXKKBOFKYEKRKIU-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.69
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-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
2-cyclohexa-1,5-dien-1-ylbutanoic acid;ethane;ethene;fluoromethane
CID 144558803
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
CID 145269063
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
2-(1-cyclohexa-2,4-dien-1-ylpropyl)cyclohexa-1,3-diene
CID 143260286
1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
CID 173132142
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene?
The IUPAC name of ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene (CID 162530177) is ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene.
What is the SMILES notation for ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene?
The canonical SMILES for ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene is C=CCC(C=C)C(CC)C1=CCCC=C1.CC.
What is the InChIKey of ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene?
The InChIKey is XKKBOFKYEKRKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C2H6/c1-4-10-13(5-2)15(6-3)14-11-8-7-9-12-14;1-2/h4-5,8,11-13,15H,1-2,6-7,9-10H2,3H3;1-2H3.
What are the key properties of ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene?
ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 162530177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).