(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate

C23H34O3 — CID 118067355

IUPAC(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC1Cc2cc(C(=O)OC(OC3CCCCC3)C(C)(C)C)ccc2C1C
InChIInChI=1S/C23H34O3/c1-15-13-18-14-17(11-12-20(18)16(15)2)21(24)26-22(23(3,4)5)25-19-9-7-6-8-10-19/h11-12,14-16,19,22H,6-10,13H2,1-5H3
InChIKeyYGYFECWMZQPPSE-UHFFFAOYSA-N
MW358.52 g/mol
LogP5.86
Rot. Bonds4

About (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate

(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 118067355) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID118067355
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC1Cc2cc(C(=O)OC(OC3CCCCC3)C(C)(C)C)ccc2C1C
InChIInChI=1S/C23H34O3/c1-15-13-18-14-17(11-12-20(18)16(15)2)21(24)26-22(23(3,4)5)25-19-9-7-6-8-10-19/h11-12,14-16,19,22H,6-10,13H2,1-5H3
InChIKeyYGYFECWMZQPPSE-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-cyclohexyloxy-2,2-dimethylpropyl) 4-(2-methylbutan-2-yl)benzoate
CID 118067347
[2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
CID 159278739
(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
CID 134286060
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
propan-2-yl 3-amino-4-(cyclohexylamino)benzoate
CID 100620581
cyclohexyl 3,5-diamino-4-(2,3-dimethylbutan-2-yl)benzoate
CID 70543280
(1S)-1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686812
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
CID 163859823
1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 71915736
cyclohexyl 3-isocyanobenzoate
CID 101028151
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate (CID 118067355) is (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate is CC1Cc2cc(C(=O)OC(OC3CCCCC3)C(C)(C)C)ccc2C1C.
What is the InChIKey of (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is YGYFECWMZQPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3/c1-15-13-18-14-17(11-12-20(18)16(15)2)21(24)26-22(23(3,4)5)25-19-9-7-6-8-10-19/h11-12,14-16,19,22H,6-10,13H2,1-5H3.
What are the key properties of (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?
(1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 358.52 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxy-2,2-dimethylpropyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 118067355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).