1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol

C13H22O2 — CID 584088

IUPAC1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
SMILESCC(C)(O)CC1C2=C(CCCC2)CC1O
InChIInChI=1S/C13H22O2/c1-13(2,15)8-11-10-6-4-3-5-9(10)7-12(11)14/h11-12,14-15H,3-8H2,1-2H3
InChIKeyJSGJQGBZVVKHJA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol

1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol (PubChem CID 584088) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
PubChem CID584088
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
SMILESCC(C)(O)CC1C2=C(CCCC2)CC1O
InChIInChI=1S/C13H22O2/c1-13(2,15)8-11-10-6-4-3-5-9(10)7-12(11)14/h11-12,14-15H,3-8H2,1-2H3
InChIKeyJSGJQGBZVVKHJA-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-cyclohexyl-2-methylpropan-2-ol;ethane
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2-ethyl-3-methylidenecycloheptan-1-ol
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2-(2-hydroxy-2,3-dimethylbutyl)cycloheptan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol (CID 584088) is 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol is CC(C)(O)CC1C2=C(CCCC2)CC1O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol?
The InChIKey is JSGJQGBZVVKHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2,15)8-11-10-6-4-3-5-9(10)7-12(11)14/h11-12,14-15H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol?
1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol is sourced from PubChem (CID 584088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).