1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone

C24H38O2Si — CID 146020458

IUPAC1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone
SMILESCC(=O)C1=C[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C1)[C@H]1C=C[C@@H]2C12CC2
InChIInChI=1S/C24H38O2Si/c1-14(2)27(15(3)4,16(5)6)26-23-19-12-18(17(7)25)13-20(23)22-9-8-21(19)24(22)10-11-24/h8-9,12,14-16,19-23H,10-11,13H2,1-7H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyUYLRRFUINJAQPI-XNBWIAOKSA-N
MW386.65 g/mol
LogP6.29
Rot. Bonds6

About 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone

1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone (PubChem CID 146020458) has the molecular formula C24H38O2Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone.

Molecular Properties

Compound Name1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone
PubChem CID146020458
Molecular FormulaC24H38O2Si
Molecular Weight386.65 g/mol
Exact Mass386.26
IUPAC Name1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone
SMILESCC(=O)C1=C[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C1)[C@H]1C=C[C@@H]2C12CC2
InChIInChI=1S/C24H38O2Si/c1-14(2)27(15(3)4,16(5)6)26-23-19-12-18(17(7)25)13-20(23)22-9-8-21(19)24(22)10-11-24/h8-9,12,14-16,19-23H,10-11,13H2,1-7H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyUYLRRFUINJAQPI-XNBWIAOKSA-N
XLogP6.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone?
The IUPAC name of 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone (CID 146020458) is 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone.
What is the SMILES notation for 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone?
The canonical SMILES for 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone is CC(=O)C1=C[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C1)[C@H]1C=C[C@@H]2C12CC2.
What is the InChIKey of 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone?
The InChIKey is UYLRRFUINJAQPI-XNBWIAOKSA-N. The full InChI is InChI=1S/C24H38O2Si/c1-14(2)27(15(3)4,16(5)6)26-23-19-12-18(17(7)25)13-20(23)22-9-8-21(19)24(22)10-11-24/h8-9,12,14-16,19-23H,10-11,13H2,1-7H3/t19-,20-,21+,22-,23-/m1/s1.
What are the key properties of 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone?
1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone has a molecular weight of 386.65 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1'R,2'R,5'S,6'R,10'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undeca-3,7-diene]-8'-yl]ethanone is sourced from PubChem (CID 146020458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).