1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene

C19H24 — CID 142105175

IUPAC1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene
SMILESCC/C=C1\CC=CC=C1c1cc(C(C)C)ccc1C
InChIInChI=1S/C19H24/c1-5-8-16-9-6-7-10-18(16)19-13-17(14(2)3)12-11-15(19)4/h6-8,10-14H,5,9H2,1-4H3/b16-8+
InChIKeyNBYLFLWXKXSXBL-LZYBPNLTSA-N
MW252.40 g/mol
LogP5.80
Rot. Bonds3

About 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene

1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene (PubChem CID 142105175) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene
PubChem CID142105175
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene
SMILESCC/C=C1\CC=CC=C1c1cc(C(C)C)ccc1C
InChIInChI=1S/C19H24/c1-5-8-16-9-6-7-10-18(16)19-13-17(14(2)3)12-11-15(19)4/h6-8,10-14H,5,9H2,1-4H3/b16-8+
InChIKeyNBYLFLWXKXSXBL-LZYBPNLTSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6Z)-1-cyclopenta-1,3-dien-1-yl-6-propylidenecyclohexa-1,3-diene
CID 163899779
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
CID 71421135
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene?
The IUPAC name of 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene (CID 142105175) is 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene?
The canonical SMILES for 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene is CC/C=C1\CC=CC=C1c1cc(C(C)C)ccc1C.
What is the InChIKey of 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene?
The InChIKey is NBYLFLWXKXSXBL-LZYBPNLTSA-N. The full InChI is InChI=1S/C19H24/c1-5-8-16-9-6-7-10-18(16)19-13-17(14(2)3)12-11-15(19)4/h6-8,10-14H,5,9H2,1-4H3/b16-8+.
What are the key properties of 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene?
1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2-[(6E)-6-propylidenecyclohexa-1,3-dien-1-yl]benzene is sourced from PubChem (CID 142105175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).