(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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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).