trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane

C11H18OPb — CID 11675167

IUPACtrimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane
SMILESC[Pb](C)(C)[C@@H]1C=C2CC=C[C@@H](C1)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
LogP3.33
Rot. Bonds1

About trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane

trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane (PubChem CID 11675167) has the molecular formula C11H18OPb and a molecular weight of 373.46 g/mol. Its IUPAC name is trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane.

Molecular Properties

Compound Nametrimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane
PubChem CID11675167
Molecular FormulaC11H18OPb
Molecular Weight373.46 g/mol
Exact Mass374.11
IUPAC Nametrimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane
SMILESC[Pb](C)(C)[C@@H]1C=C2CC=C[C@@H](C1)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
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-propyl-3,6-dihydro-2H-pyran
CID 12507030
6-butyl-3,6-dihydro-2H-pyran
CID 12536732
(6R)-6-propyl-3,6-dihydro-2H-pyran
CID 101990058
9-Oxabicyclo[3.3.1]nona-4,7-diene
CID 129860474
2-(3-Pentoxy)-1,3-cyclohexadiene
CID 145331
3-[(E)-but-1-enoxy]cyclohexene
CID 10796939
2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 12730046
2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran
CID 19778717
1-Cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene
CID 22459502
2-but-1-enyl-3,4-dihydro-2H-pyran
CID 53645769
2-prop-1-enyl-3,4-dihydro-2H-pyran
CID 67785748
3-Ethoxycyclohexene;1-methoxycyclohexene
CID 70564731

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane?
The IUPAC name of trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane (CID 11675167) is trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane.
What is the SMILES notation for trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane?
The canonical SMILES for trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane is C[Pb](C)(C)[C@@H]1C=C2CC=C[C@@H](C1)O2.
What is the InChIKey of trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-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-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane?
trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane has a molecular weight of 373.46 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S,5R)-9-oxabicyclo[3.3.1]nona-1,6-dien-3-yl]plumbane is sourced from PubChem (CID 11675167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).