1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene

C14H18 — CID 169185434

IUPAC1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(/C=C/C)c(C)cc1C
InChIInChI=1S/C14H18/c1-6-7-13-9-14(10(2)3)12(5)8-11(13)4/h6-9H,2H2,1,3-5H3/b7-6+
InChIKeyMIANNTFJPFQXQG-VOTSOKGWSA-N
MW186.30 g/mol
LogP4.37
Rot. Bonds2

About 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene

1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene (PubChem CID 169185434) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
PubChem CID169185434
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(/C=C/C)c(C)cc1C
InChIInChI=1S/C14H18/c1-6-7-13-9-14(10(2)3)12(5)8-11(13)4/h6-9H,2H2,1,3-5H3/b7-6+
InChIKeyMIANNTFJPFQXQG-VOTSOKGWSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
2,4-dimethyl-5-prop-1-en-2-ylbenzenethiol
CID 142349679
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
CID 177043564
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol
CID 142012265
4-methyl-3-prop-1-enylphenol
CID 59722537
1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium
CID 123628819
1,5-diethyl-2,4-dimethylbenzene;ethane;1-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]ethanone
CID 144777077

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene (CID 169185434) is 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene is C=C(C)c1cc(/C=C/C)c(C)cc1C.
What is the InChIKey of 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene?
The InChIKey is MIANNTFJPFQXQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H18/c1-6-7-13-9-14(10(2)3)12(5)8-11(13)4/h6-9H,2H2,1,3-5H3/b7-6+.
What are the key properties of 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene?
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 169185434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).