(2R,3S)-dodecane-2,3-diol

C12H26O2 — CID 163394646

IUPAC(2R,3S)-dodecane-2,3-diol
SMILESCCCCCCCCC[C@H](O)[C@@H](C)O
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-14H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyFQJAELSIKLYPGN-NEPJUHHUSA-N
MW202.34 g/mol
LogP2.87
Rot. Bonds9

About (2R,3S)-dodecane-2,3-diol

(2R,3S)-dodecane-2,3-diol (PubChem CID 163394646) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2R,3S)-dodecane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-dodecane-2,3-diol
PubChem CID163394646
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(2R,3S)-dodecane-2,3-diol
SMILESCCCCCCCCC[C@H](O)[C@@H](C)O
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-14H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyFQJAELSIKLYPGN-NEPJUHHUSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octane-2,3-diol;hydrochloride
CID 175007054
acetic acid;pentadecane-2,3-diol
CID 175167474
nonacosane-14,15-diol
CID 91509633
tridecane-2,3,4-triol
CID 90443062
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
heptadecane-2,5,6-triol
CID 90443080
icosane-2,5,6-triol
CID 90443113

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-dodecane-2,3-diol?
The IUPAC name of (2R,3S)-dodecane-2,3-diol (CID 163394646) is (2R,3S)-dodecane-2,3-diol.
What is the SMILES notation for (2R,3S)-dodecane-2,3-diol?
The canonical SMILES for (2R,3S)-dodecane-2,3-diol is CCCCCCCCC[C@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3S)-dodecane-2,3-diol?
The InChIKey is FQJAELSIKLYPGN-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-14H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-dodecane-2,3-diol?
(2R,3S)-dodecane-2,3-diol has a molecular weight of 202.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-dodecane-2,3-diol is sourced from PubChem (CID 163394646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).