CID 15657318

C4H9O — CID 15657318

IUPAC—
SMILESCOCC[CH2]
InChIInChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3
InChIKeyTXHHUHLJVYADPP-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.20
Rot. Bonds2

About CID 15657318

CID 15657318 (PubChem CID 15657318) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound NameCID 15657318
PubChem CID15657318
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILESCOCC[CH2]
InChIInChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3
InChIKeyTXHHUHLJVYADPP-UHFFFAOYSA-N
XLogP1.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity13

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diethyl Ether
CID 3283
Propyl ether
CID 8114
Methoxyethane
CID 10903
Butyl methyl ether
CID 12338
Ether, isobutyl methyl
CID 12250
Methyl propyl ether
CID 11182
Ethyl butyl ether
CID 12355
2-Methoxypropane
CID 11721
Ethyl propyl ether
CID 12340
2-Methoxybutane
CID 23238
1,3-Dimethoxypropane
CID 140180
2,2'-Oxybis((2H5)ethane)
CID 2723765

Frequently Asked Questions

What is the IUPAC name of CID 15657318?
The IUPAC name of CID 15657318 (CID 15657318) is not available.
What is the SMILES notation for CID 15657318?
The canonical SMILES for CID 15657318 is COCC[CH2].
What is the InChIKey of CID 15657318?
The InChIKey is TXHHUHLJVYADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3.
What are the key properties of CID 15657318?
CID 15657318 has a molecular weight of 73.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15657318 is sourced from PubChem (CID 15657318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).