1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene

C19H24 — CID 154414077

IUPAC1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
SMILESC=C(c1ccccc1C(C)CC)C1(C)C=CC=CC1
InChIInChI=1S/C19H24/c1-5-15(2)17-11-7-8-12-18(17)16(3)19(4)13-9-6-10-14-19/h6-13,15H,3,5,14H2,1-2,4H3
InChIKeyCXKOIDRHIYFXTE-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.74
Rot. Bonds4

About 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene

1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene (PubChem CID 154414077) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
PubChem CID154414077
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
SMILESC=C(c1ccccc1C(C)CC)C1(C)C=CC=CC1
InChIInChI=1S/C19H24/c1-5-15(2)17-11-7-8-12-18(17)16(3)19(4)13-9-6-10-14-19/h6-13,15H,3,5,14H2,1-2,4H3
InChIKeyCXKOIDRHIYFXTE-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene?
The IUPAC name of 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene (CID 154414077) is 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene.
What is the SMILES notation for 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene?
The canonical SMILES for 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene is C=C(c1ccccc1C(C)CC)C1(C)C=CC=CC1.
What is the InChIKey of 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene?
The InChIKey is CXKOIDRHIYFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-5-15(2)17-11-7-8-12-18(17)16(3)19(4)13-9-6-10-14-19/h6-13,15H,3,5,14H2,1-2,4H3.
What are the key properties of 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene?
1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene is sourced from PubChem (CID 154414077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).