(10S)-undecane-1,10-diol

C11H24O2 — CID 129382222

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

About (10S)-undecane-1,10-diol

(10S)-undecane-1,10-diol (PubChem CID 129382222) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (10S)-undecane-1,10-diol.

Molecular Properties

Compound Name(10S)-undecane-1,10-diol
PubChem CID129382222
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(10S)-undecane-1,10-diol
SMILESC[C@H](O)CCCCCCCCCO
InChIInChI=1S/C11H24O2/c1-11(13)9-7-5-3-2-4-6-8-10-12/h11-13H,2-10H2,1H3/t11-/m0/s1
InChIKeyOOFMPQZBFAZZBO-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

henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
hexane-1,5-diol;propane-1,3-diol
CID 139532508
dodecane-1,6,7,11-tetrol
CID 88790738
butane-1,3-diol;butane-1,4-diol
CID 18381145
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
hexane-1,5-diol;pentane-1,1-diol
CID 159179740
hexane-1,5-diol;propanoic acid
CID 175133260
pentadecane-1,12,14-triol
CID 90439739
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
butane-1,4-diol;ethane-1,2-diol;hexane-1,6-diol;propane-1,2-diol
CID 157231119
9-methyldecane-1,8-diol
CID 107094660

Frequently Asked Questions

What is the IUPAC name of (10S)-undecane-1,10-diol?
The IUPAC name of (10S)-undecane-1,10-diol (CID 129382222) is (10S)-undecane-1,10-diol.
What is the SMILES notation for (10S)-undecane-1,10-diol?
The canonical SMILES for (10S)-undecane-1,10-diol is C[C@H](O)CCCCCCCCCO.
What is the InChIKey of (10S)-undecane-1,10-diol?
The InChIKey is OOFMPQZBFAZZBO-NSHDSACASA-N. The full InChI is InChI=1S/C11H24O2/c1-11(13)9-7-5-3-2-4-6-8-10-12/h11-13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (10S)-undecane-1,10-diol?
(10S)-undecane-1,10-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 (10S)-undecane-1,10-diol is sourced from PubChem (CID 129382222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).