[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate

C19H32O4 — CID 67478212

IUPAC[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
SMILESCC(C)(C)OC(=O)CC(OC(=O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C19H32O4/c1-19(2,3)23-17(20)13-16(14-9-5-4-6-10-14)22-18(21)15-11-7-8-12-15/h14-16H,4-13H2,1-3H3
InChIKeyIKDQQZUXPLGOID-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.40
Rot. Bonds5

About [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate

[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate (PubChem CID 67478212) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
PubChem CID67478212
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
SMILESCC(C)(C)OC(=O)CC(OC(=O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C19H32O4/c1-19(2,3)23-17(20)13-16(14-9-5-4-6-10-14)22-18(21)15-11-7-8-12-15/h14-16H,4-13H2,1-3H3
InChIKeyIKDQQZUXPLGOID-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclohexanecarboxylate
CID 15508717
[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
CID 18684317
tert-butyl cyclododecanecarboxylate
CID 154013086
[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclohexanecarboxylate;tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoate;cyclohexanecarbonyl chloride
CID 159534126
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
CID 142797891
tert-butyl (3S)-3-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-4,4-dimethylpentanoate
CID 59137222
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
1-cyclohexylpropyl 4-(4-hydroxycyclohexyl)cyclohexane-1-carboxylate
CID 67890075
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 15091153
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 20698001

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate?
The IUPAC name of [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate (CID 67478212) is [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate.
What is the SMILES notation for [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate?
The canonical SMILES for [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate is CC(C)(C)OC(=O)CC(OC(=O)C1CCCC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate?
The InChIKey is IKDQQZUXPLGOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-19(2,3)23-17(20)13-16(14-9-5-4-6-10-14)22-18(21)15-11-7-8-12-15/h14-16H,4-13H2,1-3H3.
What are the key properties of [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate?
[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate has a molecular weight of 324.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate is sourced from PubChem (CID 67478212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).