(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol

C18H34O2Si — CID 101179406

IUPAC(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H](CC1)C2(C)O
InChIInChI=1S/C18H34O2Si/c1-14-8-9-15-10-11-18(12-14,17(15,5)19)13-20-21(6,7)16(2,3)4/h12,15,19H,8-11,13H2,1-7H3/t15-,17?,18-/m0/s1
InChIKeyACDQOSSBPYOBBV-YKOWGRMDSA-N
MW310.55 g/mol
LogP4.90
Rot. Bonds3

About (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol

(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol (PubChem CID 101179406) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol.

Molecular Properties

Compound Name(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol
PubChem CID101179406
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H](CC1)C2(C)O
InChIInChI=1S/C18H34O2Si/c1-14-8-9-15-10-11-18(12-14,17(15,5)19)13-20-21(6,7)16(2,3)4/h12,15,19H,8-11,13H2,1-7H3/t15-,17?,18-/m0/s1
InChIKeyACDQOSSBPYOBBV-YKOWGRMDSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
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,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol?
The IUPAC name of (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol (CID 101179406) is (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol.
What is the SMILES notation for (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol?
The canonical SMILES for (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol is CC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H](CC1)C2(C)O.
What is the InChIKey of (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol?
The InChIKey is ACDQOSSBPYOBBV-YKOWGRMDSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14-8-9-15-10-11-18(12-14,17(15,5)19)13-20-21(6,7)16(2,3)4/h12,15,19H,8-11,13H2,1-7H3/t15-,17?,18-/m0/s1.
What are the key properties of (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol?
(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol has a molecular weight of 310.55 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol is sourced from PubChem (CID 101179406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).