cyclohexane;pentan-2-ol

C11H24O — CID 67677243

IUPACcyclohexane;pentan-2-ol
SMILESC1CCCCC1.CCCC(C)O
InChIInChI=1S/C6H12.C5H12O/c1-2-4-6-5-3-1;1-3-4-5(2)6/h1-6H2;5-6H,3-4H2,1-2H3
InChIKeyGYNDHTVCIPTALN-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.51
Rot. Bonds2

About cyclohexane;pentan-2-ol

cyclohexane;pentan-2-ol (PubChem CID 67677243) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is cyclohexane;pentan-2-ol.

Molecular Properties

Compound Namecyclohexane;pentan-2-ol
PubChem CID67677243
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Namecyclohexane;pentan-2-ol
SMILESC1CCCCC1.CCCC(C)O
InChIInChI=1S/C6H12.C5H12O/c1-2-4-6-5-3-1;1-3-4-5(2)6/h1-6H2;5-6H,3-4H2,1-2H3
InChIKeyGYNDHTVCIPTALN-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-pentan-2-ol
CID 7014876
hexan-2-ol;pentan-2-ol
CID 88680973
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
methanamine;2-methyloxirane;pentan-2-ol
CID 159958720
ethane;pentan-2-ol;1,1,1-trifluorobutane
CID 143009498
5-propan-2-yloctan-2-ol
CID 123351457
6-methylnonan-2-ol
CID 19931334
5-ethyloctan-2-ol
CID 20725141
hexan-2-ol;zirconium
CID 174835617
(2R)-heptan-2-ol
CID 6992611
1,1-dideuteriopentan-2-ol
CID 142514784

Frequently Asked Questions

What is the IUPAC name of cyclohexane;pentan-2-ol?
The IUPAC name of cyclohexane;pentan-2-ol (CID 67677243) is cyclohexane;pentan-2-ol.
What is the SMILES notation for cyclohexane;pentan-2-ol?
The canonical SMILES for cyclohexane;pentan-2-ol is C1CCCCC1.CCCC(C)O.
What is the InChIKey of cyclohexane;pentan-2-ol?
The InChIKey is GYNDHTVCIPTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12O/c1-2-4-6-5-3-1;1-3-4-5(2)6/h1-6H2;5-6H,3-4H2,1-2H3.
What are the key properties of cyclohexane;pentan-2-ol?
cyclohexane;pentan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;pentan-2-ol is sourced from PubChem (CID 67677243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).