(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

C10H18O2Si — CID 13398551

IUPAC(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC[Si](C)(C)OC1=CC[C@@H](C=O)CC1
InChIInChI=1S/C10H18O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyWVNCNMOJNGBSOP-SECBINFHSA-N
MW198.34 g/mol
LogP2.72
Rot. Bonds3

About (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 13398551) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID13398551
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC[Si](C)(C)OC1=CC[C@@H](C=O)CC1
InChIInChI=1S/C10H18O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyWVNCNMOJNGBSOP-SECBINFHSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 13398551) is (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is C[Si](C)(C)OC1=CC[C@@H](C=O)CC1.
What is the InChIKey of (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is WVNCNMOJNGBSOP-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
(1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 198.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 13398551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).