5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid

C19H32O5 — CID 162320524

IUPAC5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid
SMILESCC1CCC2(O)CC(C3CCCCC3)CCC12C.O=C(O)C(=O)O
InChIInChI=1S/C17H30O.C2H2O4/c1-13-8-11-17(18)12-15(9-10-16(13,17)2)14-6-4-3-5-7-14;3-1(4)2(5)6/h13-15,18H,3-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGRFBOABWZKWDLW-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.69
Rot. Bonds1

About 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid

5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid (PubChem CID 162320524) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid.

Molecular Properties

Compound Name5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid
PubChem CID162320524
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Name5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid
SMILESCC1CCC2(O)CC(C3CCCCC3)CCC12C.O=C(O)C(=O)O
InChIInChI=1S/C17H30O.C2H2O4/c1-13-8-11-17(18)12-15(9-10-16(13,17)2)14-6-4-3-5-7-14;3-1(4)2(5)6/h13-15,18H,3-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGRFBOABWZKWDLW-UHFFFAOYSA-N
XLogP3.69
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid with MolForge

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Launch Full Analysis

Related Compounds

acetic acid;cyclohexylcyclohexane
CID 67293698
[(1S,3aS,5S,7aR)-3a-hydroxy-5-(4-hydroxycyclohexyl)-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methyl acetate
CID 11141892
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 5016583
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
2-[1-(carboxymethyl)-4-cyclohexylcyclohexyl]acetic acid
CID 71401425
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
CID 178190756
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
(1S,3aS,5R,7aR)-5-(cyclohexylmethyl)-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-indene-1-carbaldehyde
CID 10967863
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
2,2,3-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 86169859
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid?
The IUPAC name of 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid (CID 162320524) is 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid.
What is the SMILES notation for 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid?
The canonical SMILES for 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid is CC1CCC2(O)CC(C3CCCCC3)CCC12C.O=C(O)C(=O)O.
What is the InChIKey of 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid?
The InChIKey is GRFBOABWZKWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O.C2H2O4/c1-13-8-11-17(18)12-15(9-10-16(13,17)2)14-6-4-3-5-7-14;3-1(4)2(5)6/h13-15,18H,3-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid?
5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid has a molecular weight of 340.46 g/mol, XLogP of 3.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol;oxalic acid is sourced from PubChem (CID 162320524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).