ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene

C15H20 — CID 176574437

IUPACethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
SMILESCC.CC#Cc1ccc(C)cc1/C=C\C
InChIInChI=1S/C13H14.C2H6/c1-4-6-12-9-8-11(3)10-13(12)7-5-2;1-2/h5,7-10H,1-3H3;1-2H3/b7-5-;
InChIKeyLQMFPSKYLRGBOY-YJOCEBFMSA-N
MW200.32 g/mol
LogP4.43
Rot. Bonds1

About ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene

ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene (PubChem CID 176574437) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene.

Molecular Properties

Compound Nameethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
PubChem CID176574437
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Nameethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
SMILESCC.CC#Cc1ccc(C)cc1/C=C\C
InChIInChI=1S/C13H14.C2H6/c1-4-6-12-9-8-11(3)10-13(12)7-5-2;1-2/h5,7-10H,1-3H3;1-2H3/b7-5-;
InChIKeyLQMFPSKYLRGBOY-YJOCEBFMSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.43
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

4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574438
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
2-ethynyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 153376187
1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 144945000
5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
CID 174386945
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
CID 135210411
2-(4-aminobut-1-enyl)-4-methylbenzonitrile
CID 170486986

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The IUPAC name of ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene (CID 176574437) is ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene.
What is the SMILES notation for ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The canonical SMILES for ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene is CC.CC#Cc1ccc(C)cc1/C=C\C.
What is the InChIKey of ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The InChIKey is LQMFPSKYLRGBOY-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H14.C2H6/c1-4-6-12-9-8-11(3)10-13(12)7-5-2;1-2/h5,7-10H,1-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene is sourced from PubChem (CID 176574437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).