sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one

C26H41NaO5 — CID 157492456

IUPACsodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one
SMILESC1CCOC1.CC(=O)c1ccccc1.CC(C)=O.CC(C)O.CC(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H10O.C8H8O.C4H8O.C3H8O.C3H6O.Na.H/c2*1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;2*1-3(2)4;;/h2-7,9H,1H3;2-6H,1H3;1-4H2;3-4H,1-2H3;1-2H3;;/q;;;;;+1;-1
InChIKeyGDKQVQSGNAOGBM-UHFFFAOYSA-N
MW456.60 g/mol
LogP2.52
Rot. Bonds2

About sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one

sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one (PubChem CID 157492456) has the molecular formula C26H41NaO5 and a molecular weight of 456.60 g/mol. Its IUPAC name is sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one.

Molecular Properties

Compound Namesodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one
PubChem CID157492456
Molecular FormulaC26H41NaO5
Molecular Weight456.60 g/mol
Exact Mass456.29
IUPAC Namesodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one
SMILESC1CCOC1.CC(=O)c1ccccc1.CC(C)=O.CC(C)O.CC(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H10O.C8H8O.C4H8O.C3H8O.C3H6O.Na.H/c2*1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;2*1-3(2)4;;/h2-7,9H,1H3;2-6H,1H3;1-4H2;3-4H,1-2H3;1-2H3;;/q;;;;;+1;-1
InChIKeyGDKQVQSGNAOGBM-UHFFFAOYSA-N
XLogP2.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

boranuide;ethyl(trimethyl)azanium;1-phenylethanol;1-phenylethanone
CID 158501912
oxolane;propan-2-ol;propan-2-one
CID 174956969
3-hydroxybutan-2-one;1-phenylethanone
CID 70281576
ethane;1-phenylethanone;propan-2-one
CID 91456675
(1S)-1-phenylethanol
CID 157125626
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
benzoic acid;oxane
CID 158907979
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
azane;(1R)-1-phenylethanol
CID 126646564

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one?
The IUPAC name of sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one (CID 157492456) is sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one.
What is the SMILES notation for sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one?
The canonical SMILES for sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one is C1CCOC1.CC(=O)c1ccccc1.CC(C)=O.CC(C)O.CC(O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one?
The InChIKey is GDKQVQSGNAOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C8H8O.C4H8O.C3H8O.C3H6O.Na.H/c2*1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;2*1-3(2)4;;/h2-7,9H,1H3;2-6H,1H3;1-4H2;3-4H,1-2H3;1-2H3;;/q;;;;;+1;-1.
What are the key properties of sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one?
sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one has a molecular weight of 456.60 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;oxolane;1-phenylethanol;1-phenylethanone;propan-2-ol;propan-2-one is sourced from PubChem (CID 157492456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).