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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Related Compounds

(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol
CID 130756914
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
CID 165022353
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(1S,2R,3R,4R,5S,6S)-4-amino-5-fluoro-2,3-dimethoxy-6-methylcyclohexan-1-ol
CID 167602479
cis-(1R,2S)-2,4-dimethoxy-3,5-dimethylcycloheptan-1-ol
CID 130360949
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
CID 11636858
1-(3-methyl-2-bicyclo[2.2.2]oct-5-enyl)ethanol
CID 130126669

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).