2-methylprop-1-ene;propane-1,2,3-triol

C7H16O3 — CID 21265343

IUPAC2-methylprop-1-ene;propane-1,2,3-triol
SMILESC=C(C)C.OCC(O)CO
InChIInChI=1S/C4H8.C3H8O3/c1-4(2)3;4-1-3(6)2-5/h1H2,2-3H3;3-6H,1-2H2
InChIKeyLHGHZKBDZPYCOS-UHFFFAOYSA-N
MW148.20 g/mol
LogP-0.09
Rot. Bonds2

About 2-methylprop-1-ene;propane-1,2,3-triol

2-methylprop-1-ene;propane-1,2,3-triol (PubChem CID 21265343) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methylprop-1-ene;propane-1,2,3-triol.

Molecular Properties

Compound Name2-methylprop-1-ene;propane-1,2,3-triol
PubChem CID21265343
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-methylprop-1-ene;propane-1,2,3-triol
SMILESC=C(C)C.OCC(O)CO
InChIInChI=1S/C4H8.C3H8O3/c1-4(2)3;4-1-3(6)2-5/h1H2,2-3H3;3-6H,1-2H2
InChIKeyLHGHZKBDZPYCOS-UHFFFAOYSA-N
XLogP-0.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;propane-1,2,3-triol?
The IUPAC name of 2-methylprop-1-ene;propane-1,2,3-triol (CID 21265343) is 2-methylprop-1-ene;propane-1,2,3-triol.
What is the SMILES notation for 2-methylprop-1-ene;propane-1,2,3-triol?
The canonical SMILES for 2-methylprop-1-ene;propane-1,2,3-triol is C=C(C)C.OCC(O)CO.
What is the InChIKey of 2-methylprop-1-ene;propane-1,2,3-triol?
The InChIKey is LHGHZKBDZPYCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8O3/c1-4(2)3;4-1-3(6)2-5/h1H2,2-3H3;3-6H,1-2H2.
What are the key properties of 2-methylprop-1-ene;propane-1,2,3-triol?
2-methylprop-1-ene;propane-1,2,3-triol has a molecular weight of 148.20 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;propane-1,2,3-triol is sourced from PubChem (CID 21265343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).