(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene

C16H28O — CID 643670

IUPAC(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene
SMILESCO[C@@H]1[C@H]2[C@@H](CC/C(C)=C/CC[C@@H]1C)C2(C)C
InChIInChI=1S/C16H28O/c1-11-7-6-8-12(2)15(17-5)14-13(10-9-11)16(14,3)4/h7,12-15H,6,8-10H2,1-5H3/b11-7+/t12-,13+,14+,15-/m0/s1
InChIKeyXNEFKLWTAVKDKQ-CWYPELEZSA-N
MW236.40 g/mol
LogP4.43
Rot. Bonds1

About (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene

(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene (PubChem CID 643670) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene.

Molecular Properties

Compound Name(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene
PubChem CID643670
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene
SMILESCO[C@@H]1[C@H]2[C@@H](CC/C(C)=C/CC[C@@H]1C)C2(C)C
InChIInChI=1S/C16H28O/c1-11-7-6-8-12(2)15(17-5)14-13(10-9-11)16(14,3)4/h7,12-15H,6,8-10H2,1-5H3/b11-7+/t12-,13+,14+,15-/m0/s1
InChIKeyXNEFKLWTAVKDKQ-CWYPELEZSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene with MolForge

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Related Compounds

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(1R,4E,9R,10R)-9-hydroperoxy-4,11,11-trimethyl-8-methylidenebicyclo[8.1.0]undec-4-ene
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CID 14607006
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CID 73319130
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CID 102056375
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CID 102056376
(1R,2S,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
CID 102249826
(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol
CID 162890508
(1R,2R,3S,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
CID 162977885
(1R,2R,3R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-2-ol
CID 162977886

Frequently Asked Questions

What is the IUPAC name of (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene?
The IUPAC name of (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene (CID 643670) is (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene.
What is the SMILES notation for (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene?
The canonical SMILES for (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene is CO[C@@H]1[C@H]2[C@@H](CC/C(C)=C/CC[C@@H]1C)C2(C)C.
What is the InChIKey of (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene?
The InChIKey is XNEFKLWTAVKDKQ-CWYPELEZSA-N. The full InChI is InChI=1S/C16H28O/c1-11-7-6-8-12(2)15(17-5)14-13(10-9-11)16(14,3)4/h7,12-15H,6,8-10H2,1-5H3/b11-7+/t12-,13+,14+,15-/m0/s1.
What are the key properties of (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene?
(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene has a molecular weight of 236.40 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene is sourced from PubChem (CID 643670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).