[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol

C11H20O2 — CID 89195947

IUPAC[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
SMILESOCC1CCC2CC(CO)CC2C1
InChIInChI=1S/C11H20O2/c12-6-8-1-2-10-4-9(7-13)5-11(10)3-8/h8-13H,1-7H2
InChIKeyBHTKZVWFOJUTIB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.41
Rot. Bonds2

About [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol

[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol (PubChem CID 89195947) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
PubChem CID89195947
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
SMILESOCC1CCC2CC(CO)CC2C1
InChIInChI=1S/C11H20O2/c12-6-8-1-2-10-4-9(7-13)5-11(10)3-8/h8-13H,1-7H2
InChIKeyBHTKZVWFOJUTIB-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol (CID 89195947) is [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol is OCC1CCC2CC(CO)CC2C1.
What is the InChIKey of [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol?
The InChIKey is BHTKZVWFOJUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-6-8-1-2-10-4-9(7-13)5-11(10)3-8/h8-13H,1-7H2.
What are the key properties of [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol?
[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol is sourced from PubChem (CID 89195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).