butan-2-ol;pentane

C9H22O — CID 87560104

IUPACbutan-2-ol;pentane
SMILESCCC(C)O.CCCCC
InChIInChI=1S/C5H12.C4H10O/c1-3-5-4-2;1-3-4(2)5/h3-5H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyLHOWWVXVWPAYPW-UHFFFAOYSA-N
MW146.27 g/mol
LogP2.97
Rot. Bonds3

About butan-2-ol;pentane

butan-2-ol;pentane (PubChem CID 87560104) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is butan-2-ol;pentane.

Molecular Properties

Compound Namebutan-2-ol;pentane
PubChem CID87560104
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Namebutan-2-ol;pentane
SMILESCCC(C)O.CCCCC
InChIInChI=1S/C5H12.C4H10O/c1-3-5-4-2;1-3-4(2)5/h3-5H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyLHOWWVXVWPAYPW-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentane;propane-1,2-diol
CID 88731847
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
octane;propan-2-ol
CID 160746796
butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol
CID 173048495
hexan-2-ol;zirconium
CID 174835617

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;pentane?
The IUPAC name of butan-2-ol;pentane (CID 87560104) is butan-2-ol;pentane.
What is the SMILES notation for butan-2-ol;pentane?
The canonical SMILES for butan-2-ol;pentane is CCC(C)O.CCCCC.
What is the InChIKey of butan-2-ol;pentane?
The InChIKey is LHOWWVXVWPAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10O/c1-3-5-4-2;1-3-4(2)5/h3-5H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;pentane?
butan-2-ol;pentane has a molecular weight of 146.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;pentane is sourced from PubChem (CID 87560104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).