(5R,7S)-decane-1,5,7-triol

C10H22O3 — CID 15527708

IUPAC(5R,7S)-decane-1,5,7-triol
SMILESCCC[C@H](O)C[C@H](O)CCCCO
InChIInChI=1S/C10H22O3/c1-2-5-9(12)8-10(13)6-3-4-7-11/h9-13H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGNSRVODKYHUVCU-VHSXEESVSA-N
MW190.28 g/mol
LogP1.06
Rot. Bonds8

About (5R,7S)-decane-1,5,7-triol

(5R,7S)-decane-1,5,7-triol (PubChem CID 15527708) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is (5R,7S)-decane-1,5,7-triol.

Molecular Properties

Compound Name(5R,7S)-decane-1,5,7-triol
PubChem CID15527708
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name(5R,7S)-decane-1,5,7-triol
SMILESCCC[C@H](O)C[C@H](O)CCCCO
InChIInChI=1S/C10H22O3/c1-2-5-9(12)8-10(13)6-3-4-7-11/h9-13H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGNSRVODKYHUVCU-VHSXEESVSA-N
XLogP1.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetradecane-1,11-diol
CID 11390599
decane-4,6-diol;scandium
CID 164810305
icosane-1,11-diol
CID 56976881
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
icosane-1,9-diol
CID 22758044
(9R)-octadecane-1,9-diol
CID 10968142
hexadecane-1,5,7,9,13,15-hexol
CID 126747879
triacontane-6,8-diol
CID 85096450

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-decane-1,5,7-triol?
The IUPAC name of (5R,7S)-decane-1,5,7-triol (CID 15527708) is (5R,7S)-decane-1,5,7-triol.
What is the SMILES notation for (5R,7S)-decane-1,5,7-triol?
The canonical SMILES for (5R,7S)-decane-1,5,7-triol is CCC[C@H](O)C[C@H](O)CCCCO.
What is the InChIKey of (5R,7S)-decane-1,5,7-triol?
The InChIKey is GNSRVODKYHUVCU-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22O3/c1-2-5-9(12)8-10(13)6-3-4-7-11/h9-13H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (5R,7S)-decane-1,5,7-triol?
(5R,7S)-decane-1,5,7-triol has a molecular weight of 190.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-decane-1,5,7-triol is sourced from PubChem (CID 15527708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).