tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate

C14H24O4 — CID 143065428

IUPACtert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(COC2CCCCO2)CC1
InChIInChI=1S/C14H24O4/c1-13(2,3)18-12(15)14(7-8-14)10-17-11-6-4-5-9-16-11/h11H,4-10H2,1-3H3
InChIKeySEEUPDVHVAGLCH-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate

tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate (PubChem CID 143065428) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
PubChem CID143065428
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nametert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(COC2CCCCO2)CC1
InChIInChI=1S/C14H24O4/c1-13(2,3)18-12(15)14(7-8-14)10-17-11-6-4-5-9-16-11/h11H,4-10H2,1-3H3
InChIKeySEEUPDVHVAGLCH-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[6-(oxan-2-yloxy)hexyl]-1,1-dioxothiane-4-carboxylate
CID 142526772
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
tert-butyl N-[(1R)-1-[1-(benzenesulfonyl)cyclopropyl]-2-(oxan-2-yloxy)ethyl]carbamate
CID 11144370
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxan-2-yloxy)propanoate
CID 11315644
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate (CID 143065428) is tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(COC2CCCCO2)CC1.
What is the InChIKey of tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate?
The InChIKey is SEEUPDVHVAGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(2,3)18-12(15)14(7-8-14)10-17-11-6-4-5-9-16-11/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate?
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 143065428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).