sodium;hydride;3-methylhexan-3-ol

C7H17NaO — CID 175384887

IUPACsodium;hydride;3-methylhexan-3-ol
SMILESCCCC(C)(O)CC.[H-].[Na+]
InChIInChI=1S/C7H16O.Na.H/c1-4-6-7(3,8)5-2;;/h8H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyZWDWFAFZUCWOKI-UHFFFAOYSA-N
MW140.20 g/mol
LogP-0.94
Rot. Bonds3

About sodium;hydride;3-methylhexan-3-ol

sodium;hydride;3-methylhexan-3-ol (PubChem CID 175384887) has the molecular formula C7H17NaO and a molecular weight of 140.20 g/mol. Its IUPAC name is sodium;hydride;3-methylhexan-3-ol.

Molecular Properties

Compound Namesodium;hydride;3-methylhexan-3-ol
PubChem CID175384887
Molecular FormulaC7H17NaO
Molecular Weight140.20 g/mol
Exact Mass140.12
IUPAC Namesodium;hydride;3-methylhexan-3-ol
SMILESCCCC(C)(O)CC.[H-].[Na+]
InChIInChI=1S/C7H16O.Na.H/c1-4-6-7(3,8)5-2;;/h8H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyZWDWFAFZUCWOKI-UHFFFAOYSA-N
XLogP-0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;hydride;3-methylheptan-3-ol
CID 175497399
3,5,5-trimethyloctan-3-ol
CID 123781250
1-chloro-3-methylpentan-3-ol
CID 537896
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
1-amino-3-methylpentan-3-ol
CID 54320456
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
(E)-3-methyldec-6-en-3-ol
CID 20571537
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
6,6,6-trifluoro-3-methylhexan-3-ol
CID 64565342

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-methylhexan-3-ol?
The IUPAC name of sodium;hydride;3-methylhexan-3-ol (CID 175384887) is sodium;hydride;3-methylhexan-3-ol.
What is the SMILES notation for sodium;hydride;3-methylhexan-3-ol?
The canonical SMILES for sodium;hydride;3-methylhexan-3-ol is CCCC(C)(O)CC.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-methylhexan-3-ol?
The InChIKey is ZWDWFAFZUCWOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.Na.H/c1-4-6-7(3,8)5-2;;/h8H,4-6H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;3-methylhexan-3-ol?
sodium;hydride;3-methylhexan-3-ol has a molecular weight of 140.20 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-methylhexan-3-ol is sourced from PubChem (CID 175384887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).