(5R,7S)-undecane-5,7-diol

C11H24O2 — CID 10899409

IUPAC(5R,7S)-undecane-5,7-diol
SMILESCCCC[C@@H](O)C[C@@H](O)CCCC
InChIInChI=1S/C11H24O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-13H,3-9H2,1-2H3/t10-,11+
InChIKeyBVWSMNFXWYNCOJ-PHIMTYICSA-N
MW188.31 g/mol
LogP2.48
Rot. Bonds8

About (5R,7S)-undecane-5,7-diol

(5R,7S)-undecane-5,7-diol (PubChem CID 10899409) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (5R,7S)-undecane-5,7-diol.

Molecular Properties

Compound Name(5R,7S)-undecane-5,7-diol
PubChem CID10899409
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(5R,7S)-undecane-5,7-diol
SMILESCCCC[C@@H](O)C[C@@H](O)CCCC
InChIInChI=1S/C11H24O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-13H,3-9H2,1-2H3/t10-,11+
InChIKeyBVWSMNFXWYNCOJ-PHIMTYICSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

(5S,7R)-dodecane-5,7-diol
CID 12060471
decane-4,6-diol;scandium
CID 164810305
nonane-3,5-diol;scandium
CID 164810293
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
triacontane-6,8-diol
CID 85096450
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
CID 172776718
CID 172776718
(5R,7S)-7-aminoundecan-5-ol
CID 13234597
1-fluorohexan-2-ol
CID 11819078
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-undecane-5,7-diol?
The IUPAC name of (5R,7S)-undecane-5,7-diol (CID 10899409) is (5R,7S)-undecane-5,7-diol.
What is the SMILES notation for (5R,7S)-undecane-5,7-diol?
The canonical SMILES for (5R,7S)-undecane-5,7-diol is CCCC[C@@H](O)C[C@@H](O)CCCC.
What is the InChIKey of (5R,7S)-undecane-5,7-diol?
The InChIKey is BVWSMNFXWYNCOJ-PHIMTYICSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-13H,3-9H2,1-2H3/t10-,11+.
What are the key properties of (5R,7S)-undecane-5,7-diol?
(5R,7S)-undecane-5,7-diol has a molecular weight of 188.31 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-undecane-5,7-diol is sourced from PubChem (CID 10899409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).