(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide

C11H20O2P- — CID 162013493

IUPAC(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
SMILESCC(=O)OC1CC2CC1C(C)C2C.[PH2-]
InChIInChI=1S/C11H18O2.H2P/c1-6-7(2)10-4-9(6)5-11(10)13-8(3)12;/h6-7,9-11H,4-5H2,1-3H3;1H2/q;-1
InChIKeyYTUFPTHDIBBDKJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.56
Rot. Bonds1

About (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide

(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide (PubChem CID 162013493) has the molecular formula C11H20O2P- and a molecular weight of 215.25 g/mol. Its IUPAC name is (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide.

Molecular Properties

Compound Name(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
PubChem CID162013493
Molecular FormulaC11H20O2P-
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
SMILESCC(=O)OC1CC2CC1C(C)C2C.[PH2-]
InChIInChI=1S/C11H18O2.H2P/c1-6-7(2)10-4-9(6)5-11(10)13-8(3)12;/h6-7,9-11H,4-5H2,1-3H3;1H2/q;-1
InChIKeyYTUFPTHDIBBDKJ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
[(1R,2S,4S,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl] acetate
CID 124920048
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methyladamantane-2-carboxylate
CID 23518161
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 124895533
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2S,3R,5R,7R,8R,10R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yl] acetate
CID 124836742
[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529
4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl acetate
CID 139797076
3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide?
The IUPAC name of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide (CID 162013493) is (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide.
What is the SMILES notation for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide?
The canonical SMILES for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide is CC(=O)OC1CC2CC1C(C)C2C.[PH2-].
What is the InChIKey of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide?
The InChIKey is YTUFPTHDIBBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.H2P/c1-6-7(2)10-4-9(6)5-11(10)13-8(3)12;/h6-7,9-11H,4-5H2,1-3H3;1H2/q;-1.
What are the key properties of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide?
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide has a molecular weight of 215.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide is sourced from PubChem (CID 162013493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).