1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol

C9H18O3 — CID 67375723

IUPAC1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)COCCO
InChIInChI=1S/C9H18O3/c1-8-3-2-4-9(8,11)7-12-6-5-10/h8,10-11H,2-7H2,1H3
InChIKeyJZQJLVYRCQUFND-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.55
Rot. Bonds4

About 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol

1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol (PubChem CID 67375723) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol
PubChem CID67375723
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)COCCO
InChIInChI=1S/C9H18O3/c1-8-3-2-4-9(8,11)7-12-6-5-10/h8,10-11H,2-7H2,1H3
InChIKeyJZQJLVYRCQUFND-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol (CID 67375723) is 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol is CC1CCCC1(O)COCCO.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol?
The InChIKey is JZQJLVYRCQUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8-3-2-4-9(8,11)7-12-6-5-10/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol?
1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 67375723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).