(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol

C15H26O — CID 102249826

IUPAC(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
SMILESC/C1=C\CC[C@H](C)[C@H](O)[C@@H]2[C@@H](CC1)C2(C)C
InChIInChI=1S/C15H26O/c1-10-6-5-7-11(2)14(16)13-12(9-8-10)15(13,3)4/h6,11-14,16H,5,7-9H2,1-4H3/b10-6+/t11-,12+,13-,14-/m0/s1
InChIKeyOAQDRZLZSMKKDK-ZBMQLSEJSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds

About (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol

(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol (PubChem CID 102249826) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol.

Molecular Properties

Compound Name(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
PubChem CID102249826
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
SMILESC/C1=C\CC[C@H](C)[C@H](O)[C@@H]2[C@@H](CC1)C2(C)C
InChIInChI=1S/C15H26O/c1-10-6-5-7-11(2)14(16)13-12(9-8-10)15(13,3)4/h6,11-14,16H,5,7-9H2,1-4H3/b10-6+/t11-,12+,13-,14-/m0/s1
InChIKeyOAQDRZLZSMKKDK-ZBMQLSEJSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol?
The IUPAC name of (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol (CID 102249826) is (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol.
What is the SMILES notation for (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol?
The canonical SMILES for (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol is C/C1=C\CC[C@H](C)[C@H](O)[C@@H]2[C@@H](CC1)C2(C)C.
What is the InChIKey of (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol?
The InChIKey is OAQDRZLZSMKKDK-ZBMQLSEJSA-N. The full InChI is InChI=1S/C15H26O/c1-10-6-5-7-11(2)14(16)13-12(9-8-10)15(13,3)4/h6,11-14,16H,5,7-9H2,1-4H3/b10-6+/t11-,12+,13-,14-/m0/s1.
What are the key properties of (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol?
(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol is sourced from PubChem (CID 102249826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).