10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol

C16H28O4 — CID 134552048

IUPAC10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol
SMILESCCCCCCC1OC23OC1CCC2CC(O)CC3O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-8-7-11-9-12(17)10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3
InChIKeyFRNFTGXRZQIQQY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.36
Rot. Bonds5

About 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol

10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol (PubChem CID 134552048) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol.

Molecular Properties

Compound Name10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol
PubChem CID134552048
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol
SMILESCCCCCCC1OC23OC1CCC2CC(O)CC3O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-8-7-11-9-12(17)10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3
InChIKeyFRNFTGXRZQIQQY-UHFFFAOYSA-N
XLogP2.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol?
The IUPAC name of 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol (CID 134552048) is 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol.
What is the SMILES notation for 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol?
The canonical SMILES for 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol is CCCCCCC1OC23OC1CCC2CC(O)CC3O.
What is the InChIKey of 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol?
The InChIKey is FRNFTGXRZQIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-8-7-11-9-12(17)10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3.
What are the key properties of 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol?
10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol has a molecular weight of 284.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol is sourced from PubChem (CID 134552048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).