[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate

C16H30O2 — CID 144950302

IUPAC[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate
SMILESCCC(=O)OCC(C)(C)C[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-5-15(17)18-12-16(3,4)11-13(2)14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyALVFKZUNWOLGTN-CYBMUJFWSA-N
MW254.41 g/mol
LogP4.57
Rot. Bonds6

About [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate

[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate (PubChem CID 144950302) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate.

Molecular Properties

Compound Name[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate
PubChem CID144950302
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate
SMILESCCC(=O)OCC(C)(C)C[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-5-15(17)18-12-16(3,4)11-13(2)14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyALVFKZUNWOLGTN-CYBMUJFWSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate
CID 132575314
(4R)-4-cyclopentyl-2-methylpentane-2-sulfinamide
CID 140642111
[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate
CID 145301573
(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate
CID 126509359
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
1-cyclohexylethyl tridecanoate
CID 173328864
1-cycloheptylethyl undecanoate
CID 173328758
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
methyl 4-cyclohexylpentanoate
CID 174916606
cyclohexyl 3-cyclohexylbutanoate
CID 129263985

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate?
The IUPAC name of [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate (CID 144950302) is [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate.
What is the SMILES notation for [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate?
The canonical SMILES for [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate is CCC(=O)OCC(C)(C)C[C@@H](C)C1CCCCC1.
What is the InChIKey of [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate?
The InChIKey is ALVFKZUNWOLGTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-15(17)18-12-16(3,4)11-13(2)14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3/t13-/m1/s1.
What are the key properties of [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate?
[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate has a molecular weight of 254.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate is sourced from PubChem (CID 144950302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).