CID 13030149

C5H11O — CID 13030149

IUPAC—
SMILES[CH2]OC(C)(C)C
InChIInChI=1S/C5H11O/c1-5(2,3)6-4/h4H2,1-3H3
InChIKeyHXPQBIAVEXAOSC-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.59
Rot. Bonds

About CID 13030149

CID 13030149 (PubChem CID 13030149) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 13030149
PubChem CID13030149
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILES[CH2]OC(C)(C)C
InChIInChI=1S/C5H11O/c1-5(2,3)6-4/h4H2,1-3H3
InChIKeyHXPQBIAVEXAOSC-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 13030149?
The IUPAC name of CID 13030149 (CID 13030149) is not available.
What is the SMILES notation for CID 13030149?
The canonical SMILES for CID 13030149 is [CH2]OC(C)(C)C.
What is the InChIKey of CID 13030149?
The InChIKey is HXPQBIAVEXAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-5(2,3)6-4/h4H2,1-3H3.
What are the key properties of CID 13030149?
CID 13030149 has a molecular weight of 87.14 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13030149 is sourced from PubChem (CID 13030149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).