(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate

C10H18O4 — CID 156768140

IUPAC(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
SMILESCC(=O)OCC1(O)CCC(O)C1(C)C
InChIInChI=1S/C10H18O4/c1-7(11)14-6-10(13)5-4-8(12)9(10,2)3/h8,12-13H,4-6H2,1-3H3
InChIKeyMIDWVCUYIRKXLW-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.46
Rot. Bonds2

About (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate

(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate (PubChem CID 156768140) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate.

Molecular Properties

Compound Name(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
PubChem CID156768140
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
SMILESCC(=O)OCC1(O)CCC(O)C1(C)C
InChIInChI=1S/C10H18O4/c1-7(11)14-6-10(13)5-4-8(12)9(10,2)3/h8,12-13H,4-6H2,1-3H3
InChIKeyMIDWVCUYIRKXLW-UHFFFAOYSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dihydroxy-5-oxocyclopentyl)methyl acetate
CID 130146422
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 85385549
3-(acetyloxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 70230096
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
(1-aminocyclopropyl)methyl acetate
CID 150213578
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
[(1R,2S,3S,6S)-2-ethenyl-3,6-dihydroxy-2,6-dimethylcyclohexyl]methyl acetate
CID 10911709
[(1R,2R,6S)-2-(acetyloxymethyl)-2-hydroxy-6-(methoxymethoxy)-1-methylcyclohexyl]methyl acetate
CID 101354324
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[(3aS,5aR,6R,9S,9aS,9bS)-6,9-dihydroxy-5a-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9-yl]methyl acetate
CID 16756556
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953

Frequently Asked Questions

What is the IUPAC name of (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate?
The IUPAC name of (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate (CID 156768140) is (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate.
What is the SMILES notation for (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate?
The canonical SMILES for (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate is CC(=O)OCC1(O)CCC(O)C1(C)C.
What is the InChIKey of (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate?
The InChIKey is MIDWVCUYIRKXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(11)14-6-10(13)5-4-8(12)9(10,2)3/h8,12-13H,4-6H2,1-3H3.
What are the key properties of (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate?
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate has a molecular weight of 202.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate is sourced from PubChem (CID 156768140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).