(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde

C13H24O2Si — CID 101124708

IUPAC(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde
SMILESCC[Si](CC)(CC)OC1[C@@H]2CC[C@@]1(C=O)C2
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-12-11-7-8-13(12,9-11)10-14/h10-12H,4-9H2,1-3H3/t11-,12?,13+/m1/s1
InChIKeyWCLGWOJGMPPGMJ-YPHAAILGSA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds6

About (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde

(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde (PubChem CID 101124708) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde
PubChem CID101124708
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde
SMILESCC[Si](CC)(CC)OC1[C@@H]2CC[C@@]1(C=O)C2
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-12-11-7-8-13(12,9-11)10-14/h10-12H,4-9H2,1-3H3/t11-,12?,13+/m1/s1
InChIKeyWCLGWOJGMPPGMJ-YPHAAILGSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyloxy(triethyl)silane
CID 151692966
1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one
CID 101364444
(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 135019404
(4S,5R,9S)-4,9-bis(triethylsilyloxy)-1-oxaspiro[4.4]nonan-2-one
CID 71362585
bicyclo[2.2.0]hexane-1-carbaldehyde
CID 534324
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511
(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
CID 58619266
(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one
CID 11300554
(3R)-3-[(3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanal
CID 140609927
(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione
CID 101270674
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817
triethyl-[(6S,11S)-spiro[5.5]undec-4-en-11-yl]oxysilane
CID 101243616

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde?
The IUPAC name of (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde (CID 101124708) is (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde.
What is the SMILES notation for (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde?
The canonical SMILES for (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde is CC[Si](CC)(CC)OC1[C@@H]2CC[C@@]1(C=O)C2.
What is the InChIKey of (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde?
The InChIKey is WCLGWOJGMPPGMJ-YPHAAILGSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-12-11-7-8-13(12,9-11)10-14/h10-12H,4-9H2,1-3H3/t11-,12?,13+/m1/s1.
What are the key properties of (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde?
(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde has a molecular weight of 240.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde is sourced from PubChem (CID 101124708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).