CID 5483709

C5H11O — CID 5483709

IUPAC—
SMILESCC(C)(C)C[O]
InChIInChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyAELZBYQHJCEGBO-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.46
Rot. Bonds

About CID 5483709

CID 5483709 (PubChem CID 5483709) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 5483709
PubChem CID5483709
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILESCC(C)(C)C[O]
InChIInChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyAELZBYQHJCEGBO-UHFFFAOYSA-N
XLogP1.46
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butanol
CID 263
Isobutanol
CID 6560
1-Propanol
CID 1031
Neopentyl glycol
CID 31344
Neopentyl alcohol
CID 6404
3,3-Dimethyl-1-butanol
CID 12233
Trimethylolethane
CID 6502
2,2-Dimethylbutanol
CID 14454
1-Butanol-d10
CID 2733134
butan-1-(2H)ol
CID 20836
Monodeuteropropyl alcohol
CID 12201043
2-Fluoro-2-methylpropan-1-ol
CID 11126179

Frequently Asked Questions

What is the IUPAC name of CID 5483709?
The IUPAC name of CID 5483709 (CID 5483709) is not available.
What is the SMILES notation for CID 5483709?
The canonical SMILES for CID 5483709 is CC(C)(C)C[O].
What is the InChIKey of CID 5483709?
The InChIKey is AELZBYQHJCEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3.
What are the key properties of CID 5483709?
CID 5483709 has a molecular weight of 87.14 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5483709 is sourced from PubChem (CID 5483709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).