1,3-dimethyl-2-propylbenzene;prop-1-yne

C14H20 — CID 143326143

IUPAC1,3-dimethyl-2-propylbenzene;prop-1-yne
SMILESC#CC.CCCc1c(C)cccc1C
InChIInChI=1S/C11H16.C3H4/c1-4-6-11-9(2)7-5-8-10(11)3;1-3-2/h5,7-8H,4,6H2,1-3H3;1H,2H3
InChIKeyYCEPSLOTMYXJIB-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.90
Rot. Bonds2

About 1,3-dimethyl-2-propylbenzene;prop-1-yne

1,3-dimethyl-2-propylbenzene;prop-1-yne (PubChem CID 143326143) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-propylbenzene;prop-1-yne.

Molecular Properties

Compound Name1,3-dimethyl-2-propylbenzene;prop-1-yne
PubChem CID143326143
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,3-dimethyl-2-propylbenzene;prop-1-yne
SMILESC#CC.CCCc1c(C)cccc1C
InChIInChI=1S/C11H16.C3H4/c1-4-6-11-9(2)7-5-8-10(11)3;1-3-2/h5,7-8H,4,6H2,1-3H3;1H,2H3
InChIKeyYCEPSLOTMYXJIB-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
1,3-dimethyl-4-(1-phenylethenyl)-2-propylbenzene;prop-1-yne
CID 144558671
2-butyl-3-methylphenol
CID 174788119
2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 139601622
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
1,2,3-tributyl-5-methyl-4-propylnaphthalene
CID 139700890
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726
3-(2,6-dimethylphenyl)propanal
CID 73014071
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
2-but-2-ynyl-1,3-dimethylbenzene
CID 173046001
1,2-dihexyl-3-methylbenzene
CID 15920121

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propylbenzene;prop-1-yne?
The IUPAC name of 1,3-dimethyl-2-propylbenzene;prop-1-yne (CID 143326143) is 1,3-dimethyl-2-propylbenzene;prop-1-yne.
What is the SMILES notation for 1,3-dimethyl-2-propylbenzene;prop-1-yne?
The canonical SMILES for 1,3-dimethyl-2-propylbenzene;prop-1-yne is C#CC.CCCc1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-propylbenzene;prop-1-yne?
The InChIKey is YCEPSLOTMYXJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H4/c1-4-6-11-9(2)7-5-8-10(11)3;1-3-2/h5,7-8H,4,6H2,1-3H3;1H,2H3.
What are the key properties of 1,3-dimethyl-2-propylbenzene;prop-1-yne?
1,3-dimethyl-2-propylbenzene;prop-1-yne has a molecular weight of 188.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propylbenzene;prop-1-yne is sourced from PubChem (CID 143326143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).