2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol

C10H20O4 — CID 163417097

IUPAC2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol
SMILESCOC1C(C)C(OC)C(C(C)O)C1O
InChIInChI=1S/C10H20O4/c1-5-9(13-3)7(6(2)11)8(12)10(5)14-4/h5-12H,1-4H3
InChIKeyAFIMQZXYOMFNQV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.02
Rot. Bonds3

About 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol

2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol (PubChem CID 163417097) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol
PubChem CID163417097
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol
SMILESCOC1C(C)C(OC)C(C(C)O)C1O
InChIInChI=1S/C10H20O4/c1-5-9(13-3)7(6(2)11)8(12)10(5)14-4/h5-12H,1-4H3
InChIKeyAFIMQZXYOMFNQV-UHFFFAOYSA-N
XLogP0.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol?
The IUPAC name of 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol (CID 163417097) is 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol.
What is the SMILES notation for 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol?
The canonical SMILES for 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol is COC1C(C)C(OC)C(C(C)O)C1O.
What is the InChIKey of 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol?
The InChIKey is AFIMQZXYOMFNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-9(13-3)7(6(2)11)8(12)10(5)14-4/h5-12H,1-4H3.
What are the key properties of 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol?
2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol is sourced from PubChem (CID 163417097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).