2-methylprop-1-ene;prop-2-enylbenzene

C13H18 — CID 142174904

IUPAC2-methylprop-1-ene;prop-2-enylbenzene
SMILESC=C(C)C.C=CCc1ccccc1
InChIInChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-5,7-8H,1,6H2;1H2,2-3H3
InChIKeyYSWZFJYLOXCIDZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.00
Rot. Bonds2

About 2-methylprop-1-ene;prop-2-enylbenzene

2-methylprop-1-ene;prop-2-enylbenzene (PubChem CID 142174904) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-methylprop-1-ene;prop-2-enylbenzene.

Molecular Properties

Compound Name2-methylprop-1-ene;prop-2-enylbenzene
PubChem CID142174904
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-methylprop-1-ene;prop-2-enylbenzene
SMILESC=C(C)C.C=CCc1ccccc1
InChIInChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-5,7-8H,1,6H2;1H2,2-3H3
InChIKeyYSWZFJYLOXCIDZ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
pentane;prop-2-enylbenzene
CID 90884247
propan-2-amine;prop-2-enylbenzene
CID 66809896
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
prop-2-enylbenzene;sulfur trioxide
CID 175109242
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
2-fluoroacetic acid;prop-2-enylbenzene
CID 174702554
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;prop-2-enylbenzene?
The IUPAC name of 2-methylprop-1-ene;prop-2-enylbenzene (CID 142174904) is 2-methylprop-1-ene;prop-2-enylbenzene.
What is the SMILES notation for 2-methylprop-1-ene;prop-2-enylbenzene?
The canonical SMILES for 2-methylprop-1-ene;prop-2-enylbenzene is C=C(C)C.C=CCc1ccccc1.
What is the InChIKey of 2-methylprop-1-ene;prop-2-enylbenzene?
The InChIKey is YSWZFJYLOXCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-5,7-8H,1,6H2;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;prop-2-enylbenzene?
2-methylprop-1-ene;prop-2-enylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;prop-2-enylbenzene is sourced from PubChem (CID 142174904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).