2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol

C8H16O3 — CID 54515907

IUPAC2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)C1(CO)CC1
InChIInChI=1S/C8H16O3/c1-7(4-9,5-10)8(6-11)2-3-8/h9-11H,2-6H2,1H3
InChIKeyYMJYPBUWFMENOL-UHFFFAOYSA-N
MW160.21 g/mol
LogP-0.25
Rot. Bonds4

About 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol

2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol (PubChem CID 54515907) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol
PubChem CID54515907
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)C1(CO)CC1
InChIInChI=1S/C8H16O3/c1-7(4-9,5-10)8(6-11)2-3-8/h9-11H,2-6H2,1H3
InChIKeyYMJYPBUWFMENOL-UHFFFAOYSA-N
XLogP-0.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol (CID 54515907) is 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol is CC(CO)(CO)C1(CO)CC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol?
The InChIKey is YMJYPBUWFMENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(4-9,5-10)8(6-11)2-3-8/h9-11H,2-6H2,1H3.
What are the key properties of 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol?
2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol has a molecular weight of 160.21 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclopropyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 54515907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).