(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C12H23GeNO3 — CID 100933127

IUPAC(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC=CC[Ge]12OC(C)CN(C[C@H](C)O1)C[C@H](C)O2
InChIInChI=1S/C12H23GeNO3/c1-5-6-13-15-10(2)7-14(8-11(3)16-13)9-12(4)17-13/h5,10-12H,1,6-9H2,2-4H3/t10-,11-,12?/m0/s1
InChIKeyGLRLSBXBVNNRRH-NDQFZYFBSA-N
MW301.93 g/mol
LogP1.66
Rot. Bonds2

About (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 100933127) has the molecular formula C12H23GeNO3 and a molecular weight of 301.93 g/mol. Its IUPAC name is (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID100933127
Molecular FormulaC12H23GeNO3
Molecular Weight301.93 g/mol
Exact Mass303.09
IUPAC Name(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC=CC[Ge]12OC(C)CN(C[C@H](C)O1)C[C@H](C)O2
InChIInChI=1S/C12H23GeNO3/c1-5-6-13-15-10(2)7-14(8-11(3)16-13)9-12(4)17-13/h5,10-12H,1,6-9H2,2-4H3/t10-,11-,12?/m0/s1
InChIKeyGLRLSBXBVNNRRH-NDQFZYFBSA-N
XLogP1.66
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.93
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 100933127) is (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is C=CC[Ge]12OC(C)CN(C[C@H](C)O1)C[C@H](C)O2.
What is the InChIKey of (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is GLRLSBXBVNNRRH-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H23GeNO3/c1-5-6-13-15-10(2)7-14(8-11(3)16-13)9-12(4)17-13/h5,10-12H,1,6-9H2,2-4H3/t10-,11-,12?/m0/s1.
What are the key properties of (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 301.93 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 100933127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).