3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane

C32H36 — CID 143388581

IUPAC3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane
SMILESC=C/C(=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C1=CC=CCC1)C1=CC2CC2=C1.CC
InChIInChI=1S/C30H30.C2H6/c1-7-26(28-18-29-20-30(29)19-28)17-25(6)23(4)14-13-21(2)22(3)15-16-24(5)27-11-9-8-10-12-27;1-2/h7-9,11,13-19,29H,1-6,10,12,20H2;1-2H3/b14-13-,16-15-,26-17+;
InChIKeyMEYJNNUKKQOFHZ-GOIATEIRSA-N
MW420.64 g/mol
LogP9.18
Rot. Bonds10

About 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane

3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane (PubChem CID 143388581) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane.

Molecular Properties

Compound Name3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane
PubChem CID143388581
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane
SMILESC=C/C(=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C1=CC=CCC1)C1=CC2CC2=C1.CC
InChIInChI=1S/C30H30.C2H6/c1-7-26(28-18-29-20-30(29)19-28)17-25(6)23(4)14-13-21(2)22(3)15-16-24(5)27-11-9-8-10-12-27;1-2/h7-9,11,13-19,29H,1-6,10,12,20H2;1-2H3/b14-13-,16-15-,26-17+;
InChIKeyMEYJNNUKKQOFHZ-GOIATEIRSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.18
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 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane?
The IUPAC name of 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane (CID 143388581) is 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane.
What is the SMILES notation for 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane?
The canonical SMILES for 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane is C=C/C(=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C1=CC=CCC1)C1=CC2CC2=C1.CC.
What is the InChIKey of 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane?
The InChIKey is MEYJNNUKKQOFHZ-GOIATEIRSA-N. The full InChI is InChI=1S/C30H30.C2H6/c1-7-26(28-18-29-20-30(29)19-28)17-25(6)23(4)14-13-21(2)22(3)15-16-24(5)27-11-9-8-10-12-27;1-2/h7-9,11,13-19,29H,1-6,10,12,20H2;1-2H3/b14-13-,16-15-,26-17+;.
What are the key properties of 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane?
3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane has a molecular weight of 420.64 g/mol, XLogP of 9.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane is sourced from PubChem (CID 143388581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).