2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol

C12H20O2 — CID 154048821

IUPAC2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol
SMILESCC1(C)C2=C(CCCC2)CC1(O)CO
InChIInChI=1S/C12H20O2/c1-11(2)10-6-4-3-5-9(10)7-12(11,14)8-13/h13-14H,3-8H2,1-2H3
InChIKeyXZHRWRGKDJSALV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.01
Rot. Bonds1

About 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol

2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol (PubChem CID 154048821) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol
PubChem CID154048821
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol
SMILESCC1(C)C2=C(CCCC2)CC1(O)CO
InChIInChI=1S/C12H20O2/c1-11(2)10-6-4-3-5-9(10)7-12(11,14)8-13/h13-14H,3-8H2,1-2H3
InChIKeyXZHRWRGKDJSALV-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.01
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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CID 45083258
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CID 154235740
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
CID 99859032
6,6-dimethyl-1,2,3,4,5,7,8,9-octahydrobenzo[7]annulene;ethane
CID 142014547
4a-(hydroxymethyl)-1-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130126279
2-cyclohexylidene-4,4-dimethyl-3H-pyrrole
CID 101003710
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
1-methyl-3-methylidenecyclohexan-1-ol
CID 23345654
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
CID 71726289
1-chloro-1-[2-(1-chloro-4,5,6,7-tetrahydroinden-1-yl)ethyl]-4,5,6,7-tetrahydroindene;ethanol;zirconium
CID 88523648
2-hydroxy-2-methylcyclooctane-1,4-dione
CID 90777328

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol (CID 154048821) is 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol is CC1(C)C2=C(CCCC2)CC1(O)CO.
What is the InChIKey of 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol?
The InChIKey is XZHRWRGKDJSALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)10-6-4-3-5-9(10)7-12(11,14)8-13/h13-14H,3-8H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol?
2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,3-dimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol is sourced from PubChem (CID 154048821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).