butane;propan-2-ol

C7H18O — CID 18003121

IUPACbutane;propan-2-ol
SMILESCC(C)O.CCCC
InChIInChI=1S/C4H10.C3H8O/c1-3-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyWTRJRUQVQQZEIP-UHFFFAOYSA-N
MW118.22 g/mol
LogP2.19
Rot. Bonds1

About butane;propan-2-ol

butane;propan-2-ol (PubChem CID 18003121) has the molecular formula C7H18O and a molecular weight of 118.22 g/mol. Its IUPAC name is butane;propan-2-ol.

Molecular Properties

Compound Namebutane;propan-2-ol
PubChem CID18003121
Molecular FormulaC7H18O
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC Namebutane;propan-2-ol
SMILESCC(C)O.CCCC
InChIInChI=1S/C4H10.C3H8O/c1-3-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyWTRJRUQVQQZEIP-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isopropanol
CID 3776
(+-)-2-Butanol
CID 6568
3-Pentanol
CID 11428
(-)-2-Butanol
CID 84682
(+)-2-Butanol
CID 444683
(O,1,1,1,2,3,3,3-2H8)propan-2-ol
CID 2723972
Propan-2-[2H]ol
CID 520960
2-Propan-2-d-ol
CID 12213344
2-Propanol-1,1,1,3,3,3-d6
CID 12213346
Gadolinium(III) tris(isopropoxide)
CID 10882218
Neodymium(III) i-propoxide
CID 11012680
2-Propanol-1,1,1-d3
CID 12213345

Frequently Asked Questions

What is the IUPAC name of butane;propan-2-ol?
The IUPAC name of butane;propan-2-ol (CID 18003121) is butane;propan-2-ol.
What is the SMILES notation for butane;propan-2-ol?
The canonical SMILES for butane;propan-2-ol is CC(C)O.CCCC.
What is the InChIKey of butane;propan-2-ol?
The InChIKey is WTRJRUQVQQZEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H8O/c1-3-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3.
What are the key properties of butane;propan-2-ol?
butane;propan-2-ol has a molecular weight of 118.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;propan-2-ol is sourced from PubChem (CID 18003121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).