2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol

C16H28O2Si — CID 102565685

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol
SMILESC=C(C)C1(O)C2C=C(O[Si](C)(C)C(C)(C)C)C1CC2
InChIInChI=1S/C16H28O2Si/c1-11(2)16(17)12-8-9-13(16)14(10-12)18-19(6,7)15(3,4)5/h10,12-13,17H,1,8-9H2,2-7H3
InChIKeyNBLKGWQAHVXWMZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.24
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol

2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 102565685) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol
PubChem CID102565685
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol
SMILESC=C(C)C1(O)C2C=C(O[Si](C)(C)C(C)(C)C)C1CC2
InChIInChI=1S/C16H28O2Si/c1-11(2)16(17)12-8-9-13(16)14(10-12)18-19(6,7)15(3,4)5/h10,12-13,17H,1,8-9H2,2-7H3
InChIKeyNBLKGWQAHVXWMZ-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.24
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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Related Compounds

(1R,4S)-2-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-2-en-7-one
CID 102463309
tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 100917080
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
CID 15414680
(1S,6S,7R)-7-[tert-butyl(dimethyl)silyl]-9-[tert-butyl(dimethyl)silyl]oxy-11-hydroxybicyclo[4.3.2]undec-8-en-10-one
CID 101188376
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one
CID 10690701
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
CID 59805381
tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 11652059
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(dibromomethyl)cyclohex-2-en-1-ol
CID 101044260

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol (CID 102565685) is 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol is C=C(C)C1(O)C2C=C(O[Si](C)(C)C(C)(C)C)C1CC2.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is NBLKGWQAHVXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-11(2)16(17)12-8-9-13(16)14(10-12)18-19(6,7)15(3,4)5/h10,12-13,17H,1,8-9H2,2-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol?
2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 280.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 102565685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).