(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 173357866

IUPAC(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[SiH](C)OC([C@@H]1CC=CC[C@@H]1C=O)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3/t11-,12-,13?/m1/s1
InChIKeyZTCVOFPPNYUHDC-ZNRZSNADSA-N
MW254.45 g/mol
LogP3.18
Rot. Bonds4

About (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde

(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde (PubChem CID 173357866) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
PubChem CID173357866
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[SiH](C)OC([C@@H]1CC=CC[C@@H]1C=O)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3/t11-,12-,13?/m1/s1
InChIKeyZTCVOFPPNYUHDC-ZNRZSNADSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde (CID 173357866) is (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde is C[SiH](C)OC([C@@H]1CC=CC[C@@H]1C=O)C(C)(C)C.
What is the InChIKey of (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is ZTCVOFPPNYUHDC-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3/t11-,12-,13?/m1/s1.
What are the key properties of (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
(1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 173357866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).