[(2S,6R)-2-hydroxyundecan-6-yl] formate

C12H24O3 — CID 23230297

IUPAC[(2S,6R)-2-hydroxyundecan-6-yl] formate
SMILESCCCCC[C@H](CCC[C@H](C)O)OC=O
InChIInChI=1S/C12H24O3/c1-3-4-5-8-12(15-10-13)9-6-7-11(2)14/h10-12,14H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyOEZSMQMZRBNBMT-NWDGAFQWSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds10

About [(2S,6R)-2-hydroxyundecan-6-yl] formate

[(2S,6R)-2-hydroxyundecan-6-yl] formate (PubChem CID 23230297) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is [(2S,6R)-2-hydroxyundecan-6-yl] formate.

Molecular Properties

Compound Name[(2S,6R)-2-hydroxyundecan-6-yl] formate
PubChem CID23230297
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name[(2S,6R)-2-hydroxyundecan-6-yl] formate
SMILESCCCCC[C@H](CCC[C@H](C)O)OC=O
InChIInChI=1S/C12H24O3/c1-3-4-5-8-12(15-10-13)9-6-7-11(2)14/h10-12,14H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyOEZSMQMZRBNBMT-NWDGAFQWSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
(2R)-heptan-2-ol
CID 6992611
1-ethoxydecan-3-yl formate
CID 173324667
(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
1-hydroxyoctyl formate
CID 54104225

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-hydroxyundecan-6-yl] formate?
The IUPAC name of [(2S,6R)-2-hydroxyundecan-6-yl] formate (CID 23230297) is [(2S,6R)-2-hydroxyundecan-6-yl] formate.
What is the SMILES notation for [(2S,6R)-2-hydroxyundecan-6-yl] formate?
The canonical SMILES for [(2S,6R)-2-hydroxyundecan-6-yl] formate is CCCCC[C@H](CCC[C@H](C)O)OC=O.
What is the InChIKey of [(2S,6R)-2-hydroxyundecan-6-yl] formate?
The InChIKey is OEZSMQMZRBNBMT-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-8-12(15-10-13)9-6-7-11(2)14/h10-12,14H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of [(2S,6R)-2-hydroxyundecan-6-yl] formate?
[(2S,6R)-2-hydroxyundecan-6-yl] formate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-hydroxyundecan-6-yl] formate is sourced from PubChem (CID 23230297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).