1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene

C18H18 — CID 173322239

IUPAC1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=C(c2ccc(C3=C(C)C=CC3)cc2)CC=C1
InChIInChI=1S/C18H18/c1-13-5-3-7-17(13)15-9-11-16(12-10-15)18-8-4-6-14(18)2/h3-6,9-12H,7-8H2,1-2H3
InChIKeyCUYAZCXIEIPHOP-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.15
Rot. Bonds2

About 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene

1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 173322239) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID173322239
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=C(c2ccc(C3=C(C)C=CC3)cc2)CC=C1
InChIInChI=1S/C18H18/c1-13-5-3-7-17(13)15-9-11-16(12-10-15)18-8-4-6-14(18)2/h3-6,9-12H,7-8H2,1-2H3
InChIKeyCUYAZCXIEIPHOP-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene (CID 173322239) is 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene is CC1=C(c2ccc(C3=C(C)C=CC3)cc2)CC=C1.
What is the InChIKey of 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is CUYAZCXIEIPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-13-5-3-7-17(13)15-9-11-16(12-10-15)18-8-4-6-14(18)2/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene?
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 234.34 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 173322239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).