4-(methoxymethyl)cyclopentane-1,3-diol

C7H14O3 — CID 174518927

IUPAC4-(methoxymethyl)cyclopentane-1,3-diol
SMILESCOCC1CC(O)CC1O
InChIInChI=1S/C7H14O3/c1-10-4-5-2-6(8)3-7(5)9/h5-9H,2-4H2,1H3
InChIKeySDOJIRMLWHOLLT-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.24
Rot. Bonds2

About 4-(methoxymethyl)cyclopentane-1,3-diol

4-(methoxymethyl)cyclopentane-1,3-diol (PubChem CID 174518927) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(methoxymethyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-(methoxymethyl)cyclopentane-1,3-diol
PubChem CID174518927
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-(methoxymethyl)cyclopentane-1,3-diol
SMILESCOCC1CC(O)CC1O
InChIInChI=1S/C7H14O3/c1-10-4-5-2-6(8)3-7(5)9/h5-9H,2-4H2,1H3
InChIKeySDOJIRMLWHOLLT-UHFFFAOYSA-N
XLogP-0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)cyclopentane-1,3-diol?
The IUPAC name of 4-(methoxymethyl)cyclopentane-1,3-diol (CID 174518927) is 4-(methoxymethyl)cyclopentane-1,3-diol.
What is the SMILES notation for 4-(methoxymethyl)cyclopentane-1,3-diol?
The canonical SMILES for 4-(methoxymethyl)cyclopentane-1,3-diol is COCC1CC(O)CC1O.
What is the InChIKey of 4-(methoxymethyl)cyclopentane-1,3-diol?
The InChIKey is SDOJIRMLWHOLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-10-4-5-2-6(8)3-7(5)9/h5-9H,2-4H2,1H3.
What are the key properties of 4-(methoxymethyl)cyclopentane-1,3-diol?
4-(methoxymethyl)cyclopentane-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)cyclopentane-1,3-diol is sourced from PubChem (CID 174518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).