(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

C15H22O2 — CID 162843185

IUPAC(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESCC1=C(C)[C@@]23C[C@H](O)[C@@H](C)[C@@H]2CC[C@@]3(C)C1=O
InChIInChI=1S/C15H22O2/c1-8-10(3)15-7-12(16)9(2)11(15)5-6-14(15,4)13(8)17/h9,11-12,16H,5-7H2,1-4H3/t9-,11-,12-,14-,15-/m0/s1
InChIKeySAGBUNSDAOYCRC-CTFRNJQSSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (PubChem CID 162843185) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.

Molecular Properties

Compound Name(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
PubChem CID162843185
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESCC1=C(C)[C@@]23C[C@H](O)[C@@H](C)[C@@H]2CC[C@@]3(C)C1=O
InChIInChI=1S/C15H22O2/c1-8-10(3)15-7-12(16)9(2)11(15)5-6-14(15,4)13(8)17/h9,11-12,16H,5-7H2,1-4H3/t9-,11-,12-,14-,15-/m0/s1
InChIKeySAGBUNSDAOYCRC-CTFRNJQSSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The IUPAC name of (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (CID 162843185) is (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.
What is the SMILES notation for (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The canonical SMILES for (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is CC1=C(C)[C@@]23C[C@H](O)[C@@H](C)[C@@H]2CC[C@@]3(C)C1=O.
What is the InChIKey of (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The InChIKey is SAGBUNSDAOYCRC-CTFRNJQSSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-10(3)15-7-12(16)9(2)11(15)5-6-14(15,4)13(8)17/h9,11-12,16H,5-7H2,1-4H3/t9-,11-,12-,14-,15-/m0/s1.
What are the key properties of (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
(1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S,9S,10S)-10-hydroxy-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is sourced from PubChem (CID 162843185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).