(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol

C11H17ClO — CID 102505702

IUPAC(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol
SMILESOC12CCC3(Cl)C[C@H](C[C@@H](C1)C3)C2
InChIInChI=1S/C11H17ClO/c12-10-1-2-11(13)6-8(4-10)3-9(5-10)7-11/h8-9,13H,1-7H2/t8-,9+,10?,11?
InChIKeyUHHIDBDYDIJVSV-IXBNRNDTSA-N
MW200.71 g/mol
LogP2.70
Rot. Bonds

About (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol

(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol (PubChem CID 102505702) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol.

Molecular Properties

Compound Name(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol
PubChem CID102505702
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol
SMILESOC12CCC3(Cl)C[C@H](C[C@@H](C1)C3)C2
InChIInChI=1S/C11H17ClO/c12-10-1-2-11(13)6-8(4-10)3-9(5-10)7-11/h8-9,13H,1-7H2/t8-,9+,10?,11?
InChIKeyUHHIDBDYDIJVSV-IXBNRNDTSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol?
The IUPAC name of (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol (CID 102505702) is (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol.
What is the SMILES notation for (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol?
The canonical SMILES for (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol is OC12CCC3(Cl)C[C@H](C[C@@H](C1)C3)C2.
What is the InChIKey of (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol?
The InChIKey is UHHIDBDYDIJVSV-IXBNRNDTSA-N. The full InChI is InChI=1S/C11H17ClO/c12-10-1-2-11(13)6-8(4-10)3-9(5-10)7-11/h8-9,13H,1-7H2/t8-,9+,10?,11?.
What are the key properties of (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol?
(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol has a molecular weight of 200.71 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol is sourced from PubChem (CID 102505702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).