decane-1,1,1,2,2,3,3,4,4-nonol

C10H22O9 — CID 141107070

IUPACdecane-1,1,1,2,2,3,3,4,4-nonol
SMILESCCCCCCC(O)(O)C(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C10H22O9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h11-19H,2-6H2,1H3
InChIKeySXSIUBPHJTYXHK-UHFFFAOYSA-N
MW286.28 g/mol
LogP-3.37
Rot. Bonds8

About decane-1,1,1,2,2,3,3,4,4-nonol

decane-1,1,1,2,2,3,3,4,4-nonol (PubChem CID 141107070) has the molecular formula C10H22O9 and a molecular weight of 286.28 g/mol. Its IUPAC name is decane-1,1,1,2,2,3,3,4,4-nonol.

Molecular Properties

Compound Namedecane-1,1,1,2,2,3,3,4,4-nonol
PubChem CID141107070
Molecular FormulaC10H22O9
Molecular Weight286.28 g/mol
Exact Mass286.13
IUPAC Namedecane-1,1,1,2,2,3,3,4,4-nonol
SMILESCCCCCCC(O)(O)C(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C10H22O9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h11-19H,2-6H2,1H3
InChIKeySXSIUBPHJTYXHK-UHFFFAOYSA-N
XLogP-3.37
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.28
LogP ≤ 5-3.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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methyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecahydroxyoctadecanoate
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1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
CID 173367019
2,2,3-trimethylheptadecane-3,4,4-triol
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9-octyloctadecan-9-ol
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Frequently Asked Questions

What is the IUPAC name of decane-1,1,1,2,2,3,3,4,4-nonol?
The IUPAC name of decane-1,1,1,2,2,3,3,4,4-nonol (CID 141107070) is decane-1,1,1,2,2,3,3,4,4-nonol.
What is the SMILES notation for decane-1,1,1,2,2,3,3,4,4-nonol?
The canonical SMILES for decane-1,1,1,2,2,3,3,4,4-nonol is CCCCCCC(O)(O)C(O)(O)C(O)(O)C(O)(O)O.
What is the InChIKey of decane-1,1,1,2,2,3,3,4,4-nonol?
The InChIKey is SXSIUBPHJTYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h11-19H,2-6H2,1H3.
What are the key properties of decane-1,1,1,2,2,3,3,4,4-nonol?
decane-1,1,1,2,2,3,3,4,4-nonol has a molecular weight of 286.28 g/mol, XLogP of -3.37, 8 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,1,1,2,2,3,3,4,4-nonol is sourced from PubChem (CID 141107070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).