ethane;propan-2-ol

C7H20O — CID 161041980

IUPACethane;propan-2-ol
SMILESCC.CC.CC(C)O
InChIInChI=1S/C3H8O.2C2H6/c1-3(2)4;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyUAZQFHPCRITSRT-UHFFFAOYSA-N
MW120.24 g/mol
LogP2.44
Rot. Bonds

About ethane;propan-2-ol

ethane;propan-2-ol (PubChem CID 161041980) has the molecular formula C7H20O and a molecular weight of 120.24 g/mol. Its IUPAC name is ethane;propan-2-ol.

Molecular Properties

Compound Nameethane;propan-2-ol
PubChem CID161041980
Molecular FormulaC7H20O
Molecular Weight120.24 g/mol
Exact Mass120.15
IUPAC Nameethane;propan-2-ol
SMILESCC.CC.CC(C)O
InChIInChI=1S/C3H8O.2C2H6/c1-3(2)4;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyUAZQFHPCRITSRT-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-ol?
The IUPAC name of ethane;propan-2-ol (CID 161041980) is ethane;propan-2-ol.
What is the SMILES notation for ethane;propan-2-ol?
The canonical SMILES for ethane;propan-2-ol is CC.CC.CC(C)O.
What is the InChIKey of ethane;propan-2-ol?
The InChIKey is UAZQFHPCRITSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.2C2H6/c1-3(2)4;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;propan-2-ol?
ethane;propan-2-ol has a molecular weight of 120.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-ol is sourced from PubChem (CID 161041980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).