4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite

C13H17O3P-2 — CID 21125075

IUPAC4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite
SMILES[O-]P([O-])OCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C13H17O3P/c14-17(15)16-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h1-2,7-13H,3-6H2/q-2
InChIKeyLPHRWWZILINHJY-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.04
Rot. Bonds3

About 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite

4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite (PubChem CID 21125075) has the molecular formula C13H17O3P-2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite.

Molecular Properties

Compound Name4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite
PubChem CID21125075
Molecular FormulaC13H17O3P-2
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite
SMILES[O-]P([O-])OCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C13H17O3P/c14-17(15)16-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h1-2,7-13H,3-6H2/q-2
InChIKeyLPHRWWZILINHJY-UHFFFAOYSA-N
XLogP1.04
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

9-[(2-methylpropan-2-yl)oxymethyl]tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139797174
methyl 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl carbonate
CID 139891347
ethyl 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl carbonate
CID 139891328
9-(1-butoxyethoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139891389
2,2-bis(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethoxymethyl)butan-1-ol
CID 71218355
1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one
CID 12061826
3-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethoxy)ethoxymethyl]oxolane
CID 23555994
(1R,2R,3S,4S,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbaldehyde
CID 130969396
methyl 3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propanoate
CID 86585297
9-(anthracen-1-yloxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172832507
5-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)pentane-1,1,4-triol
CID 22892156
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
CID 158001966

Frequently Asked Questions

What is the IUPAC name of 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite?
The IUPAC name of 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite (CID 21125075) is 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite.
What is the SMILES notation for 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite?
The canonical SMILES for 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite is [O-]P([O-])OCC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite?
The InChIKey is LPHRWWZILINHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O3P/c14-17(15)16-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h1-2,7-13H,3-6H2/q-2.
What are the key properties of 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite?
4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite has a molecular weight of 252.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite is sourced from PubChem (CID 21125075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).