trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane

C11H18OPb — CID 11566949

IUPACtrimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane
SMILESC[Pb](C)(C)[C@]12C=CC[C@H](C=CC1)O2
InChIInChI=1S/C8H9O.3CH3.Pb/c1-3-7-5-2-6-8(4-1)9-7;;;;/h1-3,6-7H,4-5H2;3*1H3;/t7-;;;;/m0..../s1
InChIKeyFULGTRPQCAWYNP-HEDVWWMMSA-N
MW373.46 g/mol
LogP2.91
Rot. Bonds1

About trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane

trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane (PubChem CID 11566949) has the molecular formula C11H18OPb and a molecular weight of 373.46 g/mol. Its IUPAC name is trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane.

Molecular Properties

Compound Nametrimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane
PubChem CID11566949
Molecular FormulaC11H18OPb
Molecular Weight373.46 g/mol
Exact Mass374.11
IUPAC Nametrimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane
SMILESC[Pb](C)(C)[C@]12C=CC[C@H](C=CC1)O2
InChIInChI=1S/C8H9O.3CH3.Pb/c1-3-7-5-2-6-8(4-1)9-7;;;;/h1-3,6-7H,4-5H2;3*1H3;/t7-;;;;/m0..../s1
InChIKeyFULGTRPQCAWYNP-HEDVWWMMSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane with MolForge

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Related Compounds

6-Methyl-3,6-dihydro-2H-pyran
CID 521593
9-Oxabicyclo(3.3.1)nona-2,6-diene
CID 555327
1-Isopropoxy-2,7-octadiene
CID 11286698
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
6-propyl-3,6-dihydro-2H-pyran
CID 12507030
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645
2,6-Dimethyl-3,6-dihydropyran
CID 20035294
2-Pentene, 4,4'-oxybis-
CID 5365801
(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene
CID 11309730
(5E)-3-propan-2-yloxyhepta-1,5-diene
CID 13263811
(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene
CID 14111127

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane?
The IUPAC name of trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane (CID 11566949) is trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane.
What is the SMILES notation for trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane?
The canonical SMILES for trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane is C[Pb](C)(C)[C@]12C=CC[C@H](C=CC1)O2.
What is the InChIKey of trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane?
The InChIKey is FULGTRPQCAWYNP-HEDVWWMMSA-N. The full InChI is InChI=1S/C8H9O.3CH3.Pb/c1-3-7-5-2-6-8(4-1)9-7;;;;/h1-3,6-7H,4-5H2;3*1H3;/t7-;;;;/m0..../s1.
What are the key properties of trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane?
trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane has a molecular weight of 373.46 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,5R)-9-oxabicyclo[3.3.1]nona-2,6-dien-1-yl]plumbane is sourced from PubChem (CID 11566949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).