ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene

C15H22 — CID 144772189

IUPACethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C)CC1=CC=CCC1.CC
InChIInChI=1S/C13H16.C2H6/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;1-2/h3-6,8-9H,1-2,7,10-11H2;1-2H3/b8-4-;
InChIKeyMMSUTZLDTLHSKG-ZYFYRQFPSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds4

About ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene

ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene (PubChem CID 144772189) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene
PubChem CID144772189
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Nameethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C)CC1=CC=CCC1.CC
InChIInChI=1S/C13H16.C2H6/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;1-2/h3-6,8-9H,1-2,7,10-11H2;1-2H3/b8-4-;
InChIKeyMMSUTZLDTLHSKG-ZYFYRQFPSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene (CID 144772189) is ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene is C=C/C=C\C(=C)CC1=CC=CCC1.CC.
What is the InChIKey of ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene?
The InChIKey is MMSUTZLDTLHSKG-ZYFYRQFPSA-N. The full InChI is InChI=1S/C13H16.C2H6/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;1-2/h3-6,8-9H,1-2,7,10-11H2;1-2H3/b8-4-;.
What are the key properties of ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene?
ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z)-2-methylidenehexa-3,5-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144772189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).