[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate

C17H30O4 — CID 163849586

IUPAC[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C[C@@H]1C[C@@H](C)[C@H](OC2CCCCO2)C1
InChIInChI=1S/C17H30O4/c1-12-9-14(11-17(3,4)21-13(2)18)10-15(12)20-16-7-5-6-8-19-16/h12,14-16H,5-11H2,1-4H3/t12-,14-,15-,16?/m1/s1
InChIKeyOTEXRGAJTCNBBR-KCMBKRDQSA-N
MW298.42 g/mol
LogP3.68
Rot. Bonds5

About [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate

[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate (PubChem CID 163849586) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
PubChem CID163849586
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C[C@@H]1C[C@@H](C)[C@H](OC2CCCCO2)C1
InChIInChI=1S/C17H30O4/c1-12-9-14(11-17(3,4)21-13(2)18)10-15(12)20-16-7-5-6-8-19-16/h12,14-16H,5-11H2,1-4H3/t12-,14-,15-,16?/m1/s1
InChIKeyOTEXRGAJTCNBBR-KCMBKRDQSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate;(3S,3aR,6R,6aR)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6S,6aR)-3-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate
CID 161034005
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009
[1-(4-ethynyl-4-hydroxycyclohexyl)-2-methylpropan-2-yl] acetate
CID 142763231
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate (CID 163849586) is [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate is CC(=O)OC(C)(C)C[C@@H]1C[C@@H](C)[C@H](OC2CCCCO2)C1.
What is the InChIKey of [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate?
The InChIKey is OTEXRGAJTCNBBR-KCMBKRDQSA-N. The full InChI is InChI=1S/C17H30O4/c1-12-9-14(11-17(3,4)21-13(2)18)10-15(12)20-16-7-5-6-8-19-16/h12,14-16H,5-11H2,1-4H3/t12-,14-,15-,16?/m1/s1.
What are the key properties of [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate?
[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate has a molecular weight of 298.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate is sourced from PubChem (CID 163849586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).