cyclohexane-1,1,2,2,3,4,4,5,5,6-decol

C6H12O10 — CID 174675160

IUPACcyclohexane-1,1,2,2,3,4,4,5,5,6-decol
SMILESOC1C(O)(O)C(O)(O)C(O)C(O)(O)C1(O)O
InChIInChI=1S/C6H12O10/c7-1-3(9,10)5(13,14)2(8)6(15,16)4(1,11)12/h1-2,7-16H
InChIKeyGGQZUVZJYHJSRY-UHFFFAOYSA-N
MW244.15 g/mol
LogP-6.55
Rot. Bonds

About cyclohexane-1,1,2,2,3,4,4,5,5,6-decol

cyclohexane-1,1,2,2,3,4,4,5,5,6-decol (PubChem CID 174675160) has the molecular formula C6H12O10 and a molecular weight of 244.15 g/mol. Its IUPAC name is cyclohexane-1,1,2,2,3,4,4,5,5,6-decol.

Molecular Properties

Compound Namecyclohexane-1,1,2,2,3,4,4,5,5,6-decol
PubChem CID174675160
Molecular FormulaC6H12O10
Molecular Weight244.15 g/mol
Exact Mass244.04
IUPAC Namecyclohexane-1,1,2,2,3,4,4,5,5,6-decol
SMILESOC1C(O)(O)C(O)(O)C(O)C(O)(O)C1(O)O
InChIInChI=1S/C6H12O10/c7-1-3(9,10)5(13,14)2(8)6(15,16)4(1,11)12/h1-2,7-16H
InChIKeyGGQZUVZJYHJSRY-UHFFFAOYSA-N
XLogP-6.55
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.15
LogP ≤ 5-6.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1,2,2,3,4,4,5,5,6-decol?
The IUPAC name of cyclohexane-1,1,2,2,3,4,4,5,5,6-decol (CID 174675160) is cyclohexane-1,1,2,2,3,4,4,5,5,6-decol.
What is the SMILES notation for cyclohexane-1,1,2,2,3,4,4,5,5,6-decol?
The canonical SMILES for cyclohexane-1,1,2,2,3,4,4,5,5,6-decol is OC1C(O)(O)C(O)(O)C(O)C(O)(O)C1(O)O.
What is the InChIKey of cyclohexane-1,1,2,2,3,4,4,5,5,6-decol?
The InChIKey is GGQZUVZJYHJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O10/c7-1-3(9,10)5(13,14)2(8)6(15,16)4(1,11)12/h1-2,7-16H.
What are the key properties of cyclohexane-1,1,2,2,3,4,4,5,5,6-decol?
cyclohexane-1,1,2,2,3,4,4,5,5,6-decol has a molecular weight of 244.15 g/mol, XLogP of -6.55, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1,2,2,3,4,4,5,5,6-decol is sourced from PubChem (CID 174675160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).