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

C13H18 — CID 159398711

IUPAC2-methylprop-1-ene;prop-1-enylbenzene
SMILESC=C(C)C.CC=Cc1ccccc1
InChIInChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-8H,1H3;1H2,2-3H3
InChIKeyLNBHONPSQPNQBJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.30
Rot. Bonds1

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

2-methylprop-1-ene;prop-1-enylbenzene (PubChem CID 159398711) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-methylprop-1-ene;prop-1-enylbenzene.

Molecular Properties

Compound Name2-methylprop-1-ene;prop-1-enylbenzene
PubChem CID159398711
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-methylprop-1-ene;prop-1-enylbenzene
SMILESC=C(C)C.CC=Cc1ccccc1
InChIInChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-8H,1H3;1H2,2-3H3
InChIKeyLNBHONPSQPNQBJ-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.30
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

ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
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CID 172716960
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
prop-1-enylbenzene;thiourea
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but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
2-deuterioethenylbenzene;prop-1-enylbenzene
CID 162227902
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;prop-1-enylbenzene?
The IUPAC name of 2-methylprop-1-ene;prop-1-enylbenzene (CID 159398711) is 2-methylprop-1-ene;prop-1-enylbenzene.
What is the SMILES notation for 2-methylprop-1-ene;prop-1-enylbenzene?
The canonical SMILES for 2-methylprop-1-ene;prop-1-enylbenzene is C=C(C)C.CC=Cc1ccccc1.
What is the InChIKey of 2-methylprop-1-ene;prop-1-enylbenzene?
The InChIKey is LNBHONPSQPNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C4H8/c1-2-6-9-7-4-3-5-8-9;1-4(2)3/h2-8H,1H3;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;prop-1-enylbenzene?
2-methylprop-1-ene;prop-1-enylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.30, 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;prop-1-enylbenzene is sourced from PubChem (CID 159398711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).