(4S)-undecane-1,4-diol

C11H24O2 — CID 98092447

IUPAC(4S)-undecane-1,4-diol
SMILESCCCCCCC[C@H](O)CCCO
InChIInChI=1S/C11H24O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h11-13H,2-10H2,1H3/t11-/m0/s1
InChIKeyOQDSNPMZDSAHIZ-NSHDSACASA-N
MW188.31 g/mol
LogP2.48
Rot. Bonds9

About (4S)-undecane-1,4-diol

(4S)-undecane-1,4-diol (PubChem CID 98092447) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4S)-undecane-1,4-diol.

Molecular Properties

Compound Name(4S)-undecane-1,4-diol
PubChem CID98092447
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(4S)-undecane-1,4-diol
SMILESCCCCCCC[C@H](O)CCCO
InChIInChI=1S/C11H24O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h11-13H,2-10H2,1H3/t11-/m0/s1
InChIKeyOQDSNPMZDSAHIZ-NSHDSACASA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.48
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

heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
icosane-1,11-diol
CID 56976881
(9R)-octadecane-1,9-diol
CID 10968142
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of (4S)-undecane-1,4-diol?
The IUPAC name of (4S)-undecane-1,4-diol (CID 98092447) is (4S)-undecane-1,4-diol.
What is the SMILES notation for (4S)-undecane-1,4-diol?
The canonical SMILES for (4S)-undecane-1,4-diol is CCCCCCC[C@H](O)CCCO.
What is the InChIKey of (4S)-undecane-1,4-diol?
The InChIKey is OQDSNPMZDSAHIZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H24O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h11-13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-undecane-1,4-diol?
(4S)-undecane-1,4-diol has a molecular weight of 188.31 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-undecane-1,4-diol is sourced from PubChem (CID 98092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).