methane;propan-2-ol

C4H12O — CID 18755692

IUPACmethane;propan-2-ol
SMILESC.CC(C)O
InChIInChI=1S/C3H8O.CH4/c1-3(2)4;/h3-4H,1-2H3;1H4
InChIKeyYIFJWPNHXNAXJA-UHFFFAOYSA-N
MW76.14 g/mol
LogP1.02
Rot. Bonds

About methane;propan-2-ol

methane;propan-2-ol (PubChem CID 18755692) has the molecular formula C4H12O and a molecular weight of 76.14 g/mol. Its IUPAC name is methane;propan-2-ol.

Molecular Properties

Compound Namemethane;propan-2-ol
PubChem CID18755692
Molecular FormulaC4H12O
Molecular Weight76.14 g/mol
Exact Mass76.09
IUPAC Namemethane;propan-2-ol
SMILESC.CC(C)O
InChIInChI=1S/C3H8O.CH4/c1-3(2)4;/h3-4H,1-2H3;1H4
InChIKeyYIFJWPNHXNAXJA-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;propan-2-ol?
The IUPAC name of methane;propan-2-ol (CID 18755692) is methane;propan-2-ol.
What is the SMILES notation for methane;propan-2-ol?
The canonical SMILES for methane;propan-2-ol is C.CC(C)O.
What is the InChIKey of methane;propan-2-ol?
The InChIKey is YIFJWPNHXNAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH4/c1-3(2)4;/h3-4H,1-2H3;1H4.
What are the key properties of methane;propan-2-ol?
methane;propan-2-ol has a molecular weight of 76.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-ol is sourced from PubChem (CID 18755692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).