(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol

C16H28O2 — CID 15837288

IUPAC(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
SMILESCO[C@]1(C)CC[C@@H](O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C16H28O2/c1-11-6-7-12-13(10-15(12,2)3)16(4,18-5)9-8-14(11)17/h6,12-14,17H,7-10H2,1-5H3/b11-6-/t12-,13+,14-,16-/m1/s1
InChIKeyMLLUZZWVSZOUFJ-WVNLMNQTSA-N
MW252.40 g/mol
LogP3.54
Rot. Bonds1

About (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol

(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol (PubChem CID 15837288) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol.

Molecular Properties

Compound Name(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
PubChem CID15837288
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
SMILESCO[C@]1(C)CC[C@@H](O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C16H28O2/c1-11-6-7-12-13(10-15(12,2)3)16(4,18-5)9-8-14(11)17/h6,12-14,17H,7-10H2,1-5H3/b11-6-/t12-,13+,14-,16-/m1/s1
InChIKeyMLLUZZWVSZOUFJ-WVNLMNQTSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102274051
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CID 134875418
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Frequently Asked Questions

What is the IUPAC name of (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol?
The IUPAC name of (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol (CID 15837288) is (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol.
What is the SMILES notation for (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol?
The canonical SMILES for (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol is CO[C@]1(C)CC[C@@H](O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol?
The InChIKey is MLLUZZWVSZOUFJ-WVNLMNQTSA-N. The full InChI is InChI=1S/C16H28O2/c1-11-6-7-12-13(10-15(12,2)3)16(4,18-5)9-8-14(11)17/h6,12-14,17H,7-10H2,1-5H3/b11-6-/t12-,13+,14-,16-/m1/s1.
What are the key properties of (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol?
(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol has a molecular weight of 252.40 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol is sourced from PubChem (CID 15837288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).