ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene

C12H18 — CID 163241794

IUPACethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cccc(C)c1.CC
InChIInChI=1S/C10H12.C2H6/c1-3-5-10-7-4-6-9(2)8-10;1-2/h3-8H,1-2H3;1-2H3/b5-3-;
InChIKeyQPRIVZVOZCSQPD-FBZPGIPVSA-N
MW162.28 g/mol
LogP4.05
Rot. Bonds1

About ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene

ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene (PubChem CID 163241794) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
PubChem CID163241794
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Nameethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cccc(C)c1.CC
InChIInChI=1S/C10H12.C2H6/c1-3-5-10-7-4-6-9(2)8-10;1-2/h3-8H,1-2H3;1-2H3/b5-3-;
InChIKeyQPRIVZVOZCSQPD-FBZPGIPVSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-ethenyl-3-methylbenzene;prop-1-enylbenzene
CID 162018200
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
3-[(E)-prop-1-enyl]benzenethiol
CID 121278189
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
CID 70107802
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene?
The IUPAC name of ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene (CID 163241794) is ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene is C/C=C\c1cccc(C)c1.CC.
What is the InChIKey of ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene?
The InChIKey is QPRIVZVOZCSQPD-FBZPGIPVSA-N. The full InChI is InChI=1S/C10H12.C2H6/c1-3-5-10-7-4-6-9(2)8-10;1-2/h3-8H,1-2H3;1-2H3/b5-3-;.
What are the key properties of ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene?
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene has a molecular weight of 162.28 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 163241794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).