CID 101029235

C5H11O — CID 101029235

IUPAC—
SMILESCCCC(C)[O]
InChIInChI=1S/C5H11O/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeyLEPDFUSZDBECGW-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.61
Rot. Bonds2

About CID 101029235

CID 101029235 (PubChem CID 101029235) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 101029235
PubChem CID101029235
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILESCCCC(C)[O]
InChIInChI=1S/C5H11O/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeyLEPDFUSZDBECGW-UHFFFAOYSA-N
XLogP1.61
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pentane, 2-ethoxy-
CID 102692
2-Hydroperoxypentane
CID 139664
2-Methoxypentane
CID 522287
3-Methoxypentane
CID 37545
CID 19889919
CID 19889919
Sodium 3-pentoxide
CID 23676382
3-Methoxyhexane
CID 542372
Lithium 1-ethylpropoxide
CID 23664307
Kaliumbutylalkoholat
CID 129890419
Potassium hexan-3-olate
CID 135074148
Sec-butoxide
CID 3664836
Sodium pentan-2-olate
CID 18916455

Frequently Asked Questions

What is the IUPAC name of CID 101029235?
The IUPAC name of CID 101029235 (CID 101029235) is not available.
What is the SMILES notation for CID 101029235?
The canonical SMILES for CID 101029235 is CCCC(C)[O].
What is the InChIKey of CID 101029235?
The InChIKey is LEPDFUSZDBECGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-3-4-5(2)6/h5H,3-4H2,1-2H3.
What are the key properties of CID 101029235?
CID 101029235 has a molecular weight of 87.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101029235 is sourced from PubChem (CID 101029235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).