5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide

C12H19OP — CID 597604

IUPAC5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide
SMILESCC1(C)C2C=C3C(CCP3(C)=O)C1C2
InChIInChI=1S/C12H19OP/c1-12(2)8-6-10(12)9-4-5-14(3,13)11(9)7-8/h7-10H,4-6H2,1-3H3
InChIKeyGCZMIXQUCFLJAU-UHFFFAOYSA-N
MW210.26 g/mol
LogP3.56
Rot. Bonds

About 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide

5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide (PubChem CID 597604) has the molecular formula C12H19OP and a molecular weight of 210.26 g/mol. Its IUPAC name is 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide.

Molecular Properties

Compound Name5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide
PubChem CID597604
Molecular FormulaC12H19OP
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide
SMILESCC1(C)C2C=C3C(CCP3(C)=O)C1C2
InChIInChI=1S/C12H19OP/c1-12(2)8-6-10(12)9-4-5-14(3,13)11(9)7-8/h7-10H,4-6H2,1-3H3
InChIKeyGCZMIXQUCFLJAU-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)boranuide
CID 173394328
CID 23051882
CID 23051882
(1S,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene-3-carbonyl azide
CID 134875238
10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
CID 91198196
1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium
CID 22661628
(1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 173324506
2,2-dimethyl-4-oxatricyclo[4.3.0.03,8]nonan-5-one
CID 59863847
deuterio-[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanone
CID 154720161
(1S,5S)-6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-ene-3-carbonitrile
CID 130914735
1-[(1S,3S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]ethanone
CID 40511718
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 14342390
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide?
The IUPAC name of 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide (CID 597604) is 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide.
What is the SMILES notation for 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide?
The canonical SMILES for 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide is CC1(C)C2C=C3C(CCP3(C)=O)C1C2.
What is the InChIKey of 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide?
The InChIKey is GCZMIXQUCFLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP/c1-12(2)8-6-10(12)9-4-5-14(3,13)11(9)7-8/h7-10H,4-6H2,1-3H3.
What are the key properties of 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide?
5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide has a molecular weight of 210.26 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide is sourced from PubChem (CID 597604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).