1-(5,6-dihydroxydecoxy)decane-5,6-diol

C20H42O5 — CID 91000275

IUPAC1-(5,6-dihydroxydecoxy)decane-5,6-diol
SMILESCCCCC(O)C(O)CCCCOCCCCC(O)C(O)CCCC
InChIInChI=1S/C20H42O5/c1-3-5-11-17(21)19(23)13-7-9-15-25-16-10-8-14-20(24)18(22)12-6-4-2/h17-24H,3-16H2,1-2H3
InChIKeyLNJZKBHVMRYJLS-UHFFFAOYSA-N
MW362.55 g/mol
LogP3.17
Rot. Bonds18

About 1-(5,6-dihydroxydecoxy)decane-5,6-diol

1-(5,6-dihydroxydecoxy)decane-5,6-diol (PubChem CID 91000275) has the molecular formula C20H42O5 and a molecular weight of 362.55 g/mol. Its IUPAC name is 1-(5,6-dihydroxydecoxy)decane-5,6-diol.

Molecular Properties

Compound Name1-(5,6-dihydroxydecoxy)decane-5,6-diol
PubChem CID91000275
Molecular FormulaC20H42O5
Molecular Weight362.55 g/mol
Exact Mass362.30
IUPAC Name1-(5,6-dihydroxydecoxy)decane-5,6-diol
SMILESCCCCC(O)C(O)CCCCOCCCCC(O)C(O)CCCC
InChIInChI=1S/C20H42O5/c1-3-5-11-17(21)19(23)13-7-9-15-25-16-10-8-14-20(24)18(22)12-6-4-2/h17-24H,3-16H2,1-2H3
InChIKeyLNJZKBHVMRYJLS-UHFFFAOYSA-N
XLogP3.17
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 88758443
1,19-dibutoxynonadecan-10-ol
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CID 90689628
22-butoxydocosan-2-ol
CID 88608244
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(3S,4S)-octane-3,4-diol
CID 132990515
2-(4-butoxybutyl)propane-1,3-diol
CID 168858104
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
1-butoxybutane;propane-1,1-diol
CID 87222669
butane-2,3-diol;1-butoxybutane
CID 87169993
octadecane-5,9,10,14-tetrol
CID 123917796

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydroxydecoxy)decane-5,6-diol?
The IUPAC name of 1-(5,6-dihydroxydecoxy)decane-5,6-diol (CID 91000275) is 1-(5,6-dihydroxydecoxy)decane-5,6-diol.
What is the SMILES notation for 1-(5,6-dihydroxydecoxy)decane-5,6-diol?
The canonical SMILES for 1-(5,6-dihydroxydecoxy)decane-5,6-diol is CCCCC(O)C(O)CCCCOCCCCC(O)C(O)CCCC.
What is the InChIKey of 1-(5,6-dihydroxydecoxy)decane-5,6-diol?
The InChIKey is LNJZKBHVMRYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5/c1-3-5-11-17(21)19(23)13-7-9-15-25-16-10-8-14-20(24)18(22)12-6-4-2/h17-24H,3-16H2,1-2H3.
What are the key properties of 1-(5,6-dihydroxydecoxy)decane-5,6-diol?
1-(5,6-dihydroxydecoxy)decane-5,6-diol has a molecular weight of 362.55 g/mol, XLogP of 3.17, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydroxydecoxy)decane-5,6-diol is sourced from PubChem (CID 91000275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).