cyclohexane-1,1-diol;hexane-1,6-diol

C12H26O4 — CID 19371840

IUPACcyclohexane-1,1-diol;hexane-1,6-diol
SMILESOC1(O)CCCCC1.OCCCCCCO
InChIInChI=1S/C6H12O2.C6H14O2/c7-6(8)4-2-1-3-5-6;7-5-3-1-2-4-6-8/h7-8H,1-5H2;7-8H,1-6H2
InChIKeyQKXCLZVPRUYWTP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.16
Rot. Bonds5

About cyclohexane-1,1-diol;hexane-1,6-diol

cyclohexane-1,1-diol;hexane-1,6-diol (PubChem CID 19371840) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is cyclohexane-1,1-diol;hexane-1,6-diol.

Molecular Properties

Compound Namecyclohexane-1,1-diol;hexane-1,6-diol
PubChem CID19371840
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Namecyclohexane-1,1-diol;hexane-1,6-diol
SMILESOC1(O)CCCCC1.OCCCCCCO
InChIInChI=1S/C6H12O2.C6H14O2/c7-6(8)4-2-1-3-5-6;7-5-3-1-2-4-6-8/h7-8H,1-5H2;7-8H,1-6H2
InChIKeyQKXCLZVPRUYWTP-UHFFFAOYSA-N
XLogP1.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclononane-1,1-diol
CID 23151649
cyclopentadecane-1,1-diol
CID 90867480
1-(6-hydroxyhexyl)cyclopentan-1-ol
CID 70524095
cyclohexane-1,1-diol;methanol
CID 159463727
1-[1-[4-[6-(6-hydroxyhexoxy)hexoxy]butyl]cycloheptyl]cycloheptan-1-ol
CID 122513051
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1-diol;hexane-1,6-diol?
The IUPAC name of cyclohexane-1,1-diol;hexane-1,6-diol (CID 19371840) is cyclohexane-1,1-diol;hexane-1,6-diol.
What is the SMILES notation for cyclohexane-1,1-diol;hexane-1,6-diol?
The canonical SMILES for cyclohexane-1,1-diol;hexane-1,6-diol is OC1(O)CCCCC1.OCCCCCCO.
What is the InChIKey of cyclohexane-1,1-diol;hexane-1,6-diol?
The InChIKey is QKXCLZVPRUYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C6H14O2/c7-6(8)4-2-1-3-5-6;7-5-3-1-2-4-6-8/h7-8H,1-5H2;7-8H,1-6H2.
What are the key properties of cyclohexane-1,1-diol;hexane-1,6-diol?
cyclohexane-1,1-diol;hexane-1,6-diol has a molecular weight of 234.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1-diol;hexane-1,6-diol is sourced from PubChem (CID 19371840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).