1,2-bis(prop-1-en-2-yl)benzene;propane

C15H22 — CID 142274191

IUPAC1,2-bis(prop-1-en-2-yl)benzene;propane
SMILESC=C(C)c1ccccc1C(=C)C.CCC
InChIInChI=1S/C12H14.C3H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h5-8H,1,3H2,2,4H3;3H2,1-2H3
InChIKeySTDCKUMNVZHKMS-UHFFFAOYSA-N
MW202.34 g/mol
LogP5.17
Rot. Bonds2

About 1,2-bis(prop-1-en-2-yl)benzene;propane

1,2-bis(prop-1-en-2-yl)benzene;propane (PubChem CID 142274191) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,2-bis(prop-1-en-2-yl)benzene;propane.

Molecular Properties

Compound Name1,2-bis(prop-1-en-2-yl)benzene;propane
PubChem CID142274191
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,2-bis(prop-1-en-2-yl)benzene;propane
SMILESC=C(C)c1ccccc1C(=C)C.CCC
InChIInChI=1S/C12H14.C3H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h5-8H,1,3H2,2,4H3;3H2,1-2H3
InChIKeySTDCKUMNVZHKMS-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;propane?
The IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;propane (CID 142274191) is 1,2-bis(prop-1-en-2-yl)benzene;propane.
What is the SMILES notation for 1,2-bis(prop-1-en-2-yl)benzene;propane?
The canonical SMILES for 1,2-bis(prop-1-en-2-yl)benzene;propane is C=C(C)c1ccccc1C(=C)C.CCC.
What is the InChIKey of 1,2-bis(prop-1-en-2-yl)benzene;propane?
The InChIKey is STDCKUMNVZHKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C3H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h5-8H,1,3H2,2,4H3;3H2,1-2H3.
What are the key properties of 1,2-bis(prop-1-en-2-yl)benzene;propane?
1,2-bis(prop-1-en-2-yl)benzene;propane has a molecular weight of 202.34 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-1-en-2-yl)benzene;propane is sourced from PubChem (CID 142274191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).