sodium;3-ethylpentan-3-ol;hydride

C7H17NaO — CID 174311267

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

About sodium;3-ethylpentan-3-ol;hydride

sodium;3-ethylpentan-3-ol;hydride (PubChem CID 174311267) has the molecular formula C7H17NaO and a molecular weight of 140.20 g/mol. Its IUPAC name is sodium;3-ethylpentan-3-ol;hydride.

Molecular Properties

Compound Namesodium;3-ethylpentan-3-ol;hydride
PubChem CID174311267
Molecular FormulaC7H17NaO
Molecular Weight140.20 g/mol
Exact Mass140.12
IUPAC Namesodium;3-ethylpentan-3-ol;hydride
SMILESCCC(O)(CC)CC.[H-].[Na+]
InChIInChI=1S/C7H16O.Na.H/c1-4-7(8,5-2)6-3;;/h8H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyBFZMVCULZMWMEV-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;bis(2-methylbutan-2-ol)
CID 174951100
sodium;hydride;3-methylhexan-3-ol
CID 175384887
3-(sulfanylmethyl)pentan-3-ol
CID 54311594
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
3,5-diethylheptan-3-ol
CID 82929105
3-ethyl-1,1,1-trifluoropentan-3-ol
CID 89115603
3-ethyl-3-hydroxypentanoic acid
CID 11513768
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312
9-ethylheptadecan-9-ol
CID 86166082
1,1-diiodopropan-1-ol
CID 54306694
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
sodium;hydride;3-methylheptan-3-ol
CID 175497399

Frequently Asked Questions

What is the IUPAC name of sodium;3-ethylpentan-3-ol;hydride?
The IUPAC name of sodium;3-ethylpentan-3-ol;hydride (CID 174311267) is sodium;3-ethylpentan-3-ol;hydride.
What is the SMILES notation for sodium;3-ethylpentan-3-ol;hydride?
The canonical SMILES for sodium;3-ethylpentan-3-ol;hydride is CCC(O)(CC)CC.[H-].[Na+].
What is the InChIKey of sodium;3-ethylpentan-3-ol;hydride?
The InChIKey is BFZMVCULZMWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.Na.H/c1-4-7(8,5-2)6-3;;/h8H,4-6H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;3-ethylpentan-3-ol;hydride?
sodium;3-ethylpentan-3-ol;hydride 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;3-ethylpentan-3-ol;hydride is sourced from PubChem (CID 174311267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).