(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol

C15H26O2 — CID 122177429

IUPAC(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol
SMILESC/C1=C\CC[C@](C)(O)[C@H]2C[C@@H]2C(C)(C)C[C@H]1O
InChIInChI=1S/C15H26O2/c1-10-6-5-7-15(4,17)12-8-11(12)14(2,3)9-13(10)16/h6,11-13,16-17H,5,7-9H2,1-4H3/b10-6+/t11-,12-,13+,15-/m0/s1
InChIKeyBOAGSZAUIQYYAY-DQJXUAPQSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds

About (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol

(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol (PubChem CID 122177429) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol.

Molecular Properties

Compound Name(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol
PubChem CID122177429
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol
SMILESC/C1=C\CC[C@](C)(O)[C@H]2C[C@@H]2C(C)(C)C[C@H]1O
InChIInChI=1S/C15H26O2/c1-10-6-5-7-15(4,17)12-8-11(12)14(2,3)9-13(10)16/h6,11-13,16-17H,5,7-9H2,1-4H3/b10-6+/t11-,12-,13+,15-/m0/s1
InChIKeyBOAGSZAUIQYYAY-DQJXUAPQSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol?
The IUPAC name of (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol (CID 122177429) is (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol.
What is the SMILES notation for (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol?
The canonical SMILES for (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol is C/C1=C\CC[C@](C)(O)[C@H]2C[C@@H]2C(C)(C)C[C@H]1O.
What is the InChIKey of (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol?
The InChIKey is BOAGSZAUIQYYAY-DQJXUAPQSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-6-5-7-15(4,17)12-8-11(12)14(2,3)9-13(10)16/h6,11-13,16-17H,5,7-9H2,1-4H3/b10-6+/t11-,12-,13+,15-/m0/s1.
What are the key properties of (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol?
(1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5E,7R,10S)-2,6,9,9-tetramethylbicyclo[8.1.0]undec-5-ene-2,7-diol is sourced from PubChem (CID 122177429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).