(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one

C18H30O2Si — CID 11748803

IUPAC(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one
SMILESC=CC[C@]12C=C[C@](CO[Si](C)(C)C(C)(C)C)(C1)C(=O)CC2
InChIInChI=1S/C18H30O2Si/c1-7-9-17-10-8-15(19)18(13-17,12-11-17)14-20-21(5,6)16(2,3)4/h7,11-12H,1,8-10,13-14H2,2-6H3/t17-,18+/m0/s1
InChIKeyPZHKOBUEVVYEFT-ZWKOTPCHSA-N
MW306.52 g/mol
LogP4.88
Rot. Bonds5

About (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one

(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one (PubChem CID 11748803) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one.

Molecular Properties

Compound Name(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one
PubChem CID11748803
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one
SMILESC=CC[C@]12C=C[C@](CO[Si](C)(C)C(C)(C)C)(C1)C(=O)CC2
InChIInChI=1S/C18H30O2Si/c1-7-9-17-10-8-15(19)18(13-17,12-11-17)14-20-21(5,6)16(2,3)4/h7,11-12H,1,8-10,13-14H2,2-6H3/t17-,18+/m0/s1
InChIKeyPZHKOBUEVVYEFT-ZWKOTPCHSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.88
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 (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one?
The IUPAC name of (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one (CID 11748803) is (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one.
What is the SMILES notation for (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one?
The canonical SMILES for (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one is C=CC[C@]12C=C[C@](CO[Si](C)(C)C(C)(C)C)(C1)C(=O)CC2.
What is the InChIKey of (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one?
The InChIKey is PZHKOBUEVVYEFT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-9-17-10-8-15(19)18(13-17,12-11-17)14-20-21(5,6)16(2,3)4/h7,11-12H,1,8-10,13-14H2,2-6H3/t17-,18+/m0/s1.
What are the key properties of (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one?
(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one has a molecular weight of 306.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one is sourced from PubChem (CID 11748803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).