butan-2-ol;methane;pentan-3-ol

C11H30O2 — CID 160881005

IUPACbutan-2-ol;methane;pentan-3-ol
SMILESC.C.CCC(C)O.CCC(O)CC
InChIInChI=1S/C5H12O.C4H10O.2CH4/c1-3-5(6)4-2;1-3-4(2)5;;/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;2*1H4
InChIKeySNAHQQNMDBWCRU-UHFFFAOYSA-N
MW194.36 g/mol
LogP3.22
Rot. Bonds3

About butan-2-ol;methane;pentan-3-ol

butan-2-ol;methane;pentan-3-ol (PubChem CID 160881005) has the molecular formula C11H30O2 and a molecular weight of 194.36 g/mol. Its IUPAC name is butan-2-ol;methane;pentan-3-ol.

Molecular Properties

Compound Namebutan-2-ol;methane;pentan-3-ol
PubChem CID160881005
Molecular FormulaC11H30O2
Molecular Weight194.36 g/mol
Exact Mass194.22
IUPAC Namebutan-2-ol;methane;pentan-3-ol
SMILESC.C.CCC(C)O.CCC(O)CC
InChIInChI=1S/C5H12O.C4H10O.2CH4/c1-3-5(6)4-2;1-3-4(2)5;;/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;2*1H4
InChIKeySNAHQQNMDBWCRU-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pentan-3-ol
CID 11428
aluminum butan-2-ol
CID 23623700
pentakis(butan-2-ol);molybdenum
CID 152613437
pentan-3-ol;dihydrochloride
CID 141116397
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
bis(butan-2-ol);carbanide;tantalum
CID 22416357
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
N-methylmethanamine;pentan-3-ol
CID 143532118
butan-2-ol;but-2-ene
CID 157060914

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;methane;pentan-3-ol?
The IUPAC name of butan-2-ol;methane;pentan-3-ol (CID 160881005) is butan-2-ol;methane;pentan-3-ol.
What is the SMILES notation for butan-2-ol;methane;pentan-3-ol?
The canonical SMILES for butan-2-ol;methane;pentan-3-ol is C.C.CCC(C)O.CCC(O)CC.
What is the InChIKey of butan-2-ol;methane;pentan-3-ol?
The InChIKey is SNAHQQNMDBWCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H10O.2CH4/c1-3-5(6)4-2;1-3-4(2)5;;/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;2*1H4.
What are the key properties of butan-2-ol;methane;pentan-3-ol?
butan-2-ol;methane;pentan-3-ol has a molecular weight of 194.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;methane;pentan-3-ol is sourced from PubChem (CID 160881005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).