[(1R,2R)-2-hydroxycyclohexyl] decanoate

C16H30O3 — CID 122221487

IUPAC[(1R,2R)-2-hydroxycyclohexyl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-13-16(18)19-15-12-10-9-11-14(15)17/h14-15,17H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeySXSHBWKSVJLGAR-HUUCEWRRSA-N
MW270.41 g/mol
LogP3.97
Rot. Bonds9

About [(1R,2R)-2-hydroxycyclohexyl] decanoate

[(1R,2R)-2-hydroxycyclohexyl] decanoate (PubChem CID 122221487) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxycyclohexyl] decanoate.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxycyclohexyl] decanoate
PubChem CID122221487
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[(1R,2R)-2-hydroxycyclohexyl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-13-16(18)19-15-12-10-9-11-14(15)17/h14-15,17H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeySXSHBWKSVJLGAR-HUUCEWRRSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxycyclohexyl) hexanoate
CID 78887524
[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
CID 71388892
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl] heptanoate
CID 125473381
cyclobutyl pentadecanoate
CID 46229794
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl nonadecanoate
CID 57264778
cyclopropyl decanoate
CID 154321154
1-O-heptadecyl 6-O-(2-methylcyclohexyl) hexanedioate
CID 91713389
2-bicyclo[4.3.2]undecanyl hexadecanoate
CID 90762696
[(1R,2S)-2-(4-ethoxyphenyl)cyclohexyl] dodecanoate
CID 54392313
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl octanoate
CID 174350409
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] decanoate?
The IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] decanoate (CID 122221487) is [(1R,2R)-2-hydroxycyclohexyl] decanoate.
What is the SMILES notation for [(1R,2R)-2-hydroxycyclohexyl] decanoate?
The canonical SMILES for [(1R,2R)-2-hydroxycyclohexyl] decanoate is CCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1O.
What is the InChIKey of [(1R,2R)-2-hydroxycyclohexyl] decanoate?
The InChIKey is SXSHBWKSVJLGAR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-13-16(18)19-15-12-10-9-11-14(15)17/h14-15,17H,2-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxycyclohexyl] decanoate?
[(1R,2R)-2-hydroxycyclohexyl] decanoate has a molecular weight of 270.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxycyclohexyl] decanoate is sourced from PubChem (CID 122221487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).