1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen

C11H16 — CID 163256290

IUPAC1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
SMILESC=C(C)c1cc(C)cc(C)c1.[H][H]
InChIInChI=1S/C11H14.H2/c1-8(2)11-6-9(3)5-10(4)7-11;/h5-7H,1H2,2-4H3;1H
InChIKeyMCWKSAKOHWDZOG-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.58
Rot. Bonds1

About 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen

1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen (PubChem CID 163256290) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
PubChem CID163256290
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
SMILESC=C(C)c1cc(C)cc(C)c1.[H][H]
InChIInChI=1S/C11H14.H2/c1-8(2)11-6-9(3)5-10(4)7-11;/h5-7H,1H2,2-4H3;1H
InChIKeyMCWKSAKOHWDZOG-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
CID 129287205
1-(1-fluoroethenyl)-3,5-dimethylbenzene
CID 130699738
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
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
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
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886
bis(3,5-dimethylphenyl)methanone
CID 15640171
1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen
CID 163256307
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen?
The IUPAC name of 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen (CID 163256290) is 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen.
What is the SMILES notation for 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen?
The canonical SMILES for 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen is C=C(C)c1cc(C)cc(C)c1.[H][H].
What is the InChIKey of 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen?
The InChIKey is MCWKSAKOHWDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.H2/c1-8(2)11-6-9(3)5-10(4)7-11;/h5-7H,1H2,2-4H3;1H.
What are the key properties of 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen?
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen has a molecular weight of 148.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen is sourced from PubChem (CID 163256290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).