2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene

C14H20 — CID 144743897

IUPAC2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.C=C(C)C
InChIInChI=1S/C10H12.C4H8/c1-3-6-10-8-5-4-7-9(10)2;1-4(2)3/h3-8H,1-2H3;1H2,2-3H3/b6-3-;
InChIKeyABUVIVREBFQACD-AQPBACSKSA-N
MW188.31 g/mol
LogP4.61
Rot. Bonds1

About 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene

2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 144743897) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID144743897
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.C=C(C)C
InChIInChI=1S/C10H12.C4H8/c1-3-6-10-8-5-4-7-9(10)2;1-4(2)3/h3-8H,1-2H3;1H2,2-3H3/b6-3-;
InChIKeyABUVIVREBFQACD-AQPBACSKSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene (CID 144743897) is 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccccc1C.C=C(C)C.
What is the InChIKey of 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is ABUVIVREBFQACD-AQPBACSKSA-N. The full InChI is InChI=1S/C10H12.C4H8/c1-3-6-10-8-5-4-7-9(10)2;1-4(2)3/h3-8H,1-2H3;1H2,2-3H3/b6-3-;.
What are the key properties of 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 144743897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).