(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene

C22H28 — CID 163431647

IUPAC(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene
SMILESC/C=C1\C=C(C2CCC(C3=C/C(=C/C)C=C3)CC2)C=C(C)C1
InChIInChI=1S/C22H28/c1-4-17-6-7-21(14-17)19-8-10-20(11-9-19)22-13-16(3)12-18(5-2)15-22/h4-7,13-15,19-20H,8-12H2,1-3H3/b17-4+,18-5-
InChIKeyAQZROIUGKXVZSE-GFWMCZPISA-N
MW292.47 g/mol
LogP6.46
Rot. Bonds2

About (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene

(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene (PubChem CID 163431647) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene
PubChem CID163431647
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene
SMILESC/C=C1\C=C(C2CCC(C3=C/C(=C/C)C=C3)CC2)C=C(C)C1
InChIInChI=1S/C22H28/c1-4-17-6-7-21(14-17)19-8-10-20(11-9-19)22-13-16(3)12-18(5-2)15-22/h4-7,13-15,19-20H,8-12H2,1-3H3/b17-4+,18-5-
InChIKeyAQZROIUGKXVZSE-GFWMCZPISA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene?
The IUPAC name of (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene (CID 163431647) is (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene?
The canonical SMILES for (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene is C/C=C1\C=C(C2CCC(C3=C/C(=C/C)C=C3)CC2)C=C(C)C1.
What is the InChIKey of (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene?
The InChIKey is AQZROIUGKXVZSE-GFWMCZPISA-N. The full InChI is InChI=1S/C22H28/c1-4-17-6-7-21(14-17)19-8-10-20(11-9-19)22-13-16(3)12-18(5-2)15-22/h4-7,13-15,19-20H,8-12H2,1-3H3/b17-4+,18-5-.
What are the key properties of (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene?
(5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene has a molecular weight of 292.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-3-[4-[(3E)-3-ethylidenecyclopenta-1,4-dien-1-yl]cyclohexyl]-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163431647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).