(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene

C12H17P — CID 12844067

IUPAC(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene
SMILESCC(C)(C)P1C2/C=C\C=C/C=C\C21
InChIInChI=1S/C12H17P/c1-12(2,3)13-10-8-6-4-5-7-9-11(10)13/h4-11H,1-3H3/b5-4-,8-6-,9-7-
InChIKeyXLLSOSSMXHGUDC-CBYRLPPOSA-N
MW192.24 g/mol
LogP3.70
Rot. Bonds

About (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene

(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene (PubChem CID 12844067) has the molecular formula C12H17P and a molecular weight of 192.24 g/mol. Its IUPAC name is (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene
PubChem CID12844067
Molecular FormulaC12H17P
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene
SMILESCC(C)(C)P1C2/C=C\C=C/C=C\C21
InChIInChI=1S/C12H17P/c1-12(2,3)13-10-8-6-4-5-7-9-11(10)13/h4-11H,1-3H3/b5-4-,8-6-,9-7-
InChIKeyXLLSOSSMXHGUDC-CBYRLPPOSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 18783490
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CID 15001525
tert-butyl-[(2Z,4Z,7Z)-6-[tert-butyl(dimethyl)silyl]cycloocta-2,4,7-trien-1-yl]-dimethylsilane
CID 101039275
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7-tert-butyl-7-methylcyclohepta-1,3,5-triene
CID 90813280
7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene
CID 134853757
5-(2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 15913732
1,6-ditert-butylcyclohexa-2,4-dien-1-amine
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7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
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6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
CID 69459384
5,6-ditert-butyl-5-propan-2-ylcyclohexa-1,3-diene
CID 172558729
5,6-dimethylcyclohexa-1,3-diene
CID 564578

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene (CID 12844067) is (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene is CC(C)(C)P1C2/C=C\C=C/C=C\C21.
What is the InChIKey of (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene?
The InChIKey is XLLSOSSMXHGUDC-CBYRLPPOSA-N. The full InChI is InChI=1S/C12H17P/c1-12(2,3)13-10-8-6-4-5-7-9-11(10)13/h4-11H,1-3H3/b5-4-,8-6-,9-7-.
What are the key properties of (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene?
(2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene has a molecular weight of 192.24 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-9-tert-butyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene is sourced from PubChem (CID 12844067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).