tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

C14H24O3 — CID 69420627

IUPACtert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=CC1(C(=O)OC(C)(C)C)CC1(C)C)CO
InChIInChI=1S/C14H24O3/c1-10(8-15)7-14(9-13(14,5)6)11(16)17-12(2,3)4/h7,15H,8-9H2,1-6H3
InChIKeyOCPWEIOCNWJNCR-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 69420627) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID69420627
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=CC1(C(=O)OC(C)(C)C)CC1(C)C)CO
InChIInChI=1S/C14H24O3/c1-10(8-15)7-14(9-13(14,5)6)11(16)17-12(2,3)4/h7,15H,8-9H2,1-6H3
InChIKeyOCPWEIOCNWJNCR-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57307842
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 69420627) is tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is CC(=CC1(C(=O)OC(C)(C)C)CC1(C)C)CO.
What is the InChIKey of tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is OCPWEIOCNWJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(8-15)7-14(9-13(14,5)6)11(16)17-12(2,3)4/h7,15H,8-9H2,1-6H3.
What are the key properties of tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 69420627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).