CID 157498325

C4H10NaO — CID 157498325

IUPAC—
SMILESCCC(C)O.[Na]
InChIInChI=1S/C4H10O.Na/c1-3-4(2)5;/h4-5H,3H2,1-2H3;
InChIKeyBYCGYBXZYBOLMP-UHFFFAOYSA-N
MW97.11 g/mol
LogP0.40
Rot. Bonds1

About CID 157498325

CID 157498325 (PubChem CID 157498325) has the molecular formula C4H10NaO and a molecular weight of 97.11 g/mol.

Molecular Properties

Compound NameCID 157498325
PubChem CID157498325
Molecular FormulaC4H10NaO
Molecular Weight97.11 g/mol
Exact Mass97.06
IUPAC Name—
SMILESCCC(C)O.[Na]
InChIInChI=1S/C4H10O.Na/c1-3-4(2)5;/h4-5H,3H2,1-2H3;
InChIKeyBYCGYBXZYBOLMP-UHFFFAOYSA-N
XLogP0.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174746471
butan-2-ol;methane;pentan-3-ol
CID 160881005
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
butan-2-ol;but-2-ene
CID 157060914
butan-2-ol;pentane
CID 87560104
tetraaluminum;bis(butan-2-ol);trisilicate
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Frequently Asked Questions

What is the IUPAC name of CID 157498325?
The IUPAC name of CID 157498325 (CID 157498325) is not available.
What is the SMILES notation for CID 157498325?
The canonical SMILES for CID 157498325 is CCC(C)O.[Na].
What is the InChIKey of CID 157498325?
The InChIKey is BYCGYBXZYBOLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Na/c1-3-4(2)5;/h4-5H,3H2,1-2H3;.
What are the key properties of CID 157498325?
CID 157498325 has a molecular weight of 97.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157498325 is sourced from PubChem (CID 157498325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).