hexan-2-ol;pentan-2-ol

C11H26O2 — CID 88680973

IUPAChexan-2-ol;pentan-2-ol
SMILESCCCC(C)O.CCCCC(C)O
InChIInChI=1S/C6H14O.C5H12O/c1-3-4-5-6(2)7;1-3-4-5(2)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQHYIOWKKFZDSTP-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.72
Rot. Bonds5

About hexan-2-ol;pentan-2-ol

hexan-2-ol;pentan-2-ol (PubChem CID 88680973) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is hexan-2-ol;pentan-2-ol.

Molecular Properties

Compound Namehexan-2-ol;pentan-2-ol
PubChem CID88680973
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Namehexan-2-ol;pentan-2-ol
SMILESCCCC(C)O.CCCCC(C)O
InChIInChI=1S/C6H14O.C5H12O/c1-3-4-5-6(2)7;1-3-4-5(2)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQHYIOWKKFZDSTP-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-octadecan-2-ol
CID 25022019
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CID 157400640
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Frequently Asked Questions

What is the IUPAC name of hexan-2-ol;pentan-2-ol?
The IUPAC name of hexan-2-ol;pentan-2-ol (CID 88680973) is hexan-2-ol;pentan-2-ol.
What is the SMILES notation for hexan-2-ol;pentan-2-ol?
The canonical SMILES for hexan-2-ol;pentan-2-ol is CCCC(C)O.CCCCC(C)O.
What is the InChIKey of hexan-2-ol;pentan-2-ol?
The InChIKey is QHYIOWKKFZDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12O/c1-3-4-5-6(2)7;1-3-4-5(2)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of hexan-2-ol;pentan-2-ol?
hexan-2-ol;pentan-2-ol has a molecular weight of 190.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ol;pentan-2-ol is sourced from PubChem (CID 88680973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).