1-methyl-3,5-bis(prop-1-en-2-yl)benzene

C13H16 — CID 142935126

IUPAC1-methyl-3,5-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cc(C)cc(C(=C)C)c1
InChIInChI=1S/C13H16/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-8H,1,3H2,2,4-5H3
InChIKeyBLUYISXWVVSUIB-UHFFFAOYSA-N
MW172.27 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-3,5-bis(prop-1-en-2-yl)benzene

1-methyl-3,5-bis(prop-1-en-2-yl)benzene (PubChem CID 142935126) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-3,5-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-3,5-bis(prop-1-en-2-yl)benzene
PubChem CID142935126
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-3,5-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cc(C)cc(C(=C)C)c1
InChIInChI=1S/C13H16/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-8H,1,3H2,2,4-5H3
InChIKeyBLUYISXWVVSUIB-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
CID 129287205
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
CID 142213493
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 166922343
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-(1-fluoroethenyl)-3,5-dimethylbenzene
CID 130699738
1-(3-acetyl-5-methylphenyl)ethanone;ethane
CID 142103327
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(prop-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-3,5-bis(prop-1-en-2-yl)benzene (CID 142935126) is 1-methyl-3,5-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-3,5-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-3,5-bis(prop-1-en-2-yl)benzene is C=C(C)c1cc(C)cc(C(=C)C)c1.
What is the InChIKey of 1-methyl-3,5-bis(prop-1-en-2-yl)benzene?
The InChIKey is BLUYISXWVVSUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-8H,1,3H2,2,4-5H3.
What are the key properties of 1-methyl-3,5-bis(prop-1-en-2-yl)benzene?
1-methyl-3,5-bis(prop-1-en-2-yl)benzene has a molecular weight of 172.27 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 142935126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).