(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one

C12H16O2 — CID 11206314

IUPAC(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESC[C@]12CC[C@@H]3C[C@H]1C=CC[C@@]2(O)C3=O
InChIInChI=1S/C12H16O2/c1-11-6-4-8-7-9(11)3-2-5-12(11,14)10(8)13/h2-3,8-9,14H,4-7H2,1H3/t8-,9-,11+,12-/m1/s1
InChIKeyWOKNQTJTGCQLKN-PKZYVASSSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds

About (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one

(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one (PubChem CID 11206314) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one.

Molecular Properties

Compound Name(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one
PubChem CID11206314
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESC[C@]12CC[C@@H]3C[C@H]1C=CC[C@@]2(O)C3=O
InChIInChI=1S/C12H16O2/c1-11-6-4-8-7-9(11)3-2-5-12(11,14)10(8)13/h2-3,8-9,14H,4-7H2,1H3/t8-,9-,11+,12-/m1/s1
InChIKeyWOKNQTJTGCQLKN-PKZYVASSSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The IUPAC name of (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one (CID 11206314) is (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one.
What is the SMILES notation for (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The canonical SMILES for (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one is C[C@]12CC[C@@H]3C[C@H]1C=CC[C@@]2(O)C3=O.
What is the InChIKey of (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The InChIKey is WOKNQTJTGCQLKN-PKZYVASSSA-N. The full InChI is InChI=1S/C12H16O2/c1-11-6-4-8-7-9(11)3-2-5-12(11,14)10(8)13/h2-3,8-9,14H,4-7H2,1H3/t8-,9-,11+,12-/m1/s1.
What are the key properties of (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one?
(1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S,8S)-3-hydroxy-8-methyltricyclo[5.3.1.03,8]undec-5-en-2-one is sourced from PubChem (CID 11206314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).