ethanol;2-methylprop-1-ene

C6H14O — CID 18987856

IUPACethanol;2-methylprop-1-ene
SMILESC=C(C)C.CCO
InChIInChI=1S/C4H8.C2H6O/c1-4(2)3;1-2-3/h1H2,2-3H3;3H,2H2,1H3
InChIKeyAKZKNAYUAQFCDP-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.58
Rot. Bonds

About ethanol;2-methylprop-1-ene

ethanol;2-methylprop-1-ene (PubChem CID 18987856) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is ethanol;2-methylprop-1-ene.

Molecular Properties

Compound Nameethanol;2-methylprop-1-ene
PubChem CID18987856
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Nameethanol;2-methylprop-1-ene
SMILESC=C(C)C.CCO
InChIInChI=1S/C4H8.C2H6O/c1-4(2)3;1-2-3/h1H2,2-3H3;3H,2H2,1H3
InChIKeyAKZKNAYUAQFCDP-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethanol;2-methylprop-1-ene?
The IUPAC name of ethanol;2-methylprop-1-ene (CID 18987856) is ethanol;2-methylprop-1-ene.
What is the SMILES notation for ethanol;2-methylprop-1-ene?
The canonical SMILES for ethanol;2-methylprop-1-ene is C=C(C)C.CCO.
What is the InChIKey of ethanol;2-methylprop-1-ene?
The InChIKey is AKZKNAYUAQFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H6O/c1-4(2)3;1-2-3/h1H2,2-3H3;3H,2H2,1H3.
What are the key properties of ethanol;2-methylprop-1-ene?
ethanol;2-methylprop-1-ene has a molecular weight of 102.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methylprop-1-ene is sourced from PubChem (CID 18987856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).