methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate

C16H30O4 — CID 156581680

IUPACmethyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate
SMILESCOC(=O)C(C)CCC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C
InChIInChI=1S/C16H30O4/c1-11(14(17)20-5)7-6-9-16(4,19)13-8-10-15(3,18)12(13)2/h11-13,18-19H,6-10H2,1-5H3/t11?,12-,13+,15+,16+/m0/s1
InChIKeyHRHABFVVFDETJB-BTVFNWTGSA-N
MW286.41 g/mol
LogP2.51
Rot. Bonds6

About methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate

methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate (PubChem CID 156581680) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate.

Molecular Properties

Compound Namemethyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate
PubChem CID156581680
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namemethyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate
SMILESCOC(=O)C(C)CCC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C
InChIInChI=1S/C16H30O4/c1-11(14(17)20-5)7-6-9-16(4,19)13-8-10-15(3,18)12(13)2/h11-13,18-19H,6-10H2,1-5H3/t11?,12-,13+,15+,16+/m0/s1
InChIKeyHRHABFVVFDETJB-BTVFNWTGSA-N
XLogP2.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate with MolForge

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Related Compounds

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoic acid
CID 5311239
(1R,2R,7S,13R,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadecan-5-one
CID 448531
Z-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
CID 170452575
13,14-dihydro-2,3-dinor PGF1alpha
CID 178328106
13,14-Dihydroprostaglandin F1alpha
CID 71684395
2-(2-Formyl-3-hydroxy-3-methylcyclopentyl)propan-2-yl acetate
CID 10198480
2-[(1R,2S,3R)-2-formyl-3-hydroxy-3-methylcyclopentyl]propan-2-yl acetate
CID 10889659
ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate
CID 125472215
trans-(1R,2S)-2-[(2S)-2-hydroxypropyl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
CID 134872457
cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
CID 134872468
ethyl 2-[(1S,2S,4R)-2,4-dihydroxy-4-methyl-2-propan-2-ylcyclopentyl]acetate
CID 10705458
methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate
CID 11819479

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate?
The IUPAC name of methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate (CID 156581680) is methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate.
What is the SMILES notation for methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate?
The canonical SMILES for methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate is COC(=O)C(C)CCC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C.
What is the InChIKey of methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate?
The InChIKey is HRHABFVVFDETJB-BTVFNWTGSA-N. The full InChI is InChI=1S/C16H30O4/c1-11(14(17)20-5)7-6-9-16(4,19)13-8-10-15(3,18)12(13)2/h11-13,18-19H,6-10H2,1-5H3/t11?,12-,13+,15+,16+/m0/s1.
What are the key properties of methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate?
methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate has a molecular weight of 286.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptanoate is sourced from PubChem (CID 156581680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).