1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol

C11H17ClO2 — CID 51030188

IUPAC1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol
SMILESOC1C2CC3CC(CC(Cl)(C3)C2)C1O
InChIInChI=1S/C11H17ClO2/c12-11-3-6-1-7(4-11)9(13)10(14)8(2-6)5-11/h6-10,13-14H,1-5H2
InChIKeyGPEAMOCSUDGSQQ-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.53
Rot. Bonds

About 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol

1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol (PubChem CID 51030188) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol.

Molecular Properties

Compound Name1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol
PubChem CID51030188
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol
SMILESOC1C2CC3CC(CC(Cl)(C3)C2)C1O
InChIInChI=1S/C11H17ClO2/c12-11-3-6-1-7(4-11)9(13)10(14)8(2-6)5-11/h6-10,13-14H,1-5H2
InChIKeyGPEAMOCSUDGSQQ-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol?
The IUPAC name of 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol (CID 51030188) is 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol.
What is the SMILES notation for 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol?
The canonical SMILES for 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol is OC1C2CC3CC(CC(Cl)(C3)C2)C1O.
What is the InChIKey of 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol?
The InChIKey is GPEAMOCSUDGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2/c12-11-3-6-1-7(4-11)9(13)10(14)8(2-6)5-11/h6-10,13-14H,1-5H2.
What are the key properties of 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol?
1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol has a molecular weight of 216.71 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotricyclo[4.3.1.13,8]undecane-4,5-diol is sourced from PubChem (CID 51030188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).