(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane

C11H17Cl — CID 98539610

IUPAC(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane
SMILESCl[C@@H]1CC2C[C@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C11H17Cl/c12-11-6-9-2-7-1-8(3-9)5-10(11)4-7/h7-11H,1-6H2/t7-,8-,9?,10?,11+/m0/s1
InChIKeySAGBRHVHDRVQCK-GPVPLICRSA-N
MW184.71 g/mol
LogP3.44
Rot. Bonds

About (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane

(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane (PubChem CID 98539610) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane
PubChem CID98539610
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane
SMILESCl[C@@H]1CC2C[C@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C11H17Cl/c12-11-6-9-2-7-1-8(3-9)5-10(11)4-7/h7-11H,1-6H2/t7-,8-,9?,10?,11+/m0/s1
InChIKeySAGBRHVHDRVQCK-GPVPLICRSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane?
The IUPAC name of (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane (CID 98539610) is (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane?
The canonical SMILES for (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane is Cl[C@@H]1CC2C[C@H]3CC1C[C@H](C2)C3.
What is the InChIKey of (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane?
The InChIKey is SAGBRHVHDRVQCK-GPVPLICRSA-N. The full InChI is InChI=1S/C11H17Cl/c12-11-6-9-2-7-1-8(3-9)5-10(11)4-7/h7-11H,1-6H2/t7-,8-,9?,10?,11+/m0/s1.
What are the key properties of (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane?
(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane has a molecular weight of 184.71 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 98539610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).