hydrogen sulfite;3-methyldecane;yttrium

C11H24O3SY-2 — CID 59289682

IUPAChydrogen sulfite;3-methyldecane;yttrium
SMILESCCCC[CH-]CCC(C)CC.O=S([O-])O.[Y]
InChIInChI=1S/C11H23.H2O3S.Y/c1-4-6-7-8-9-10-11(3)5-2;1-4(2)3;/h8,11H,4-7,9-10H2,1-3H3;(H2,1,2,3);/q-1;;/p-1
InChIKeyMVHFULBUUYJSRL-UHFFFAOYSA-M
MW325.28 g/mol
LogP3.54
Rot. Bonds7

About hydrogen sulfite;3-methyldecane;yttrium

hydrogen sulfite;3-methyldecane;yttrium (PubChem CID 59289682) has the molecular formula C11H24O3SY-2 and a molecular weight of 325.28 g/mol. Its IUPAC name is hydrogen sulfite;3-methyldecane;yttrium.

Molecular Properties

Compound Namehydrogen sulfite;3-methyldecane;yttrium
PubChem CID59289682
Molecular FormulaC11H24O3SY-2
Molecular Weight325.28 g/mol
Exact Mass325.05
IUPAC Namehydrogen sulfite;3-methyldecane;yttrium
SMILESCCCC[CH-]CCC(C)CC.O=S([O-])O.[Y]
InChIInChI=1S/C11H23.H2O3S.Y/c1-4-6-7-8-9-10-11(3)5-2;1-4(2)3;/h8,11H,4-7,9-10H2,1-3H3;(H2,1,2,3);/q-1;;/p-1
InChIKeyMVHFULBUUYJSRL-UHFFFAOYSA-M
XLogP3.54
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
3-methylheptane;oxotitanium
CID 174602327
3-methylheptane;nickel
CID 158967838
2-methylhexane-1-sulfinate
CID 57056486
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methylheptane;octane
CID 144782281
3-methyldodecane
CID 28469
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;3-methyldecane;yttrium?
The IUPAC name of hydrogen sulfite;3-methyldecane;yttrium (CID 59289682) is hydrogen sulfite;3-methyldecane;yttrium.
What is the SMILES notation for hydrogen sulfite;3-methyldecane;yttrium?
The canonical SMILES for hydrogen sulfite;3-methyldecane;yttrium is CCCC[CH-]CCC(C)CC.O=S([O-])O.[Y].
What is the InChIKey of hydrogen sulfite;3-methyldecane;yttrium?
The InChIKey is MVHFULBUUYJSRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23.H2O3S.Y/c1-4-6-7-8-9-10-11(3)5-2;1-4(2)3;/h8,11H,4-7,9-10H2,1-3H3;(H2,1,2,3);/q-1;;/p-1.
What are the key properties of hydrogen sulfite;3-methyldecane;yttrium?
hydrogen sulfite;3-methyldecane;yttrium has a molecular weight of 325.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;3-methyldecane;yttrium is sourced from PubChem (CID 59289682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).