3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol

C10H20O3 — CID 85238830

IUPAC3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol
SMILESCC1CC(O)C(C(C)CO)C1CO
InChIInChI=1S/C10H20O3/c1-6-3-9(13)10(7(2)4-11)8(6)5-12/h6-13H,3-5H2,1-2H3
InChIKeyWGDGLAHQNXDQAH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.24
Rot. Bonds3

About 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol

3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol (PubChem CID 85238830) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol
PubChem CID85238830
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol
SMILESCC1CC(O)C(C(C)CO)C1CO
InChIInChI=1S/C10H20O3/c1-6-3-9(13)10(7(2)4-11)8(6)5-12/h6-13H,3-5H2,1-2H3
InChIKeyWGDGLAHQNXDQAH-UHFFFAOYSA-N
XLogP0.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol (CID 85238830) is 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol is CC1CC(O)C(C(C)CO)C1CO.
What is the InChIKey of 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol?
The InChIKey is WGDGLAHQNXDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-3-9(13)10(7(2)4-11)8(6)5-12/h6-13H,3-5H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol?
3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)-4-methylcyclopentan-1-ol is sourced from PubChem (CID 85238830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).