[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol

C13H24O2 — CID 158126781

IUPAC[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol
SMILESOCC1CCC2(CC1)CCC(CO)CC2
InChIInChI=1S/C13H24O2/c14-9-11-1-5-13(6-2-11)7-3-12(10-15)4-8-13/h11-12,14-15H,1-10H2
InChIKeyIELMQGNPUFOQJD-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.34
Rot. Bonds2

About [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol

[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol (PubChem CID 158126781) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol
PubChem CID158126781
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol
SMILESOCC1CCC2(CC1)CCC(CO)CC2
InChIInChI=1S/C13H24O2/c14-9-11-1-5-13(6-2-11)7-3-12(10-15)4-8-13/h11-12,14-15H,1-10H2
InChIKeyIELMQGNPUFOQJD-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol (CID 158126781) is [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol is OCC1CCC2(CC1)CCC(CO)CC2.
What is the InChIKey of [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol?
The InChIKey is IELMQGNPUFOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-9-11-1-5-13(6-2-11)7-3-12(10-15)4-8-13/h11-12,14-15H,1-10H2.
What are the key properties of [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol?
[3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol has a molecular weight of 212.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)spiro[5.5]undecan-9-yl]methanol is sourced from PubChem (CID 158126781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).