(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde

C19H32O2Si — CID 56594957

IUPAC(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde
SMILESCC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCC(C)=C2C=O
InChIInChI=1S/C19H32O2Si/c1-14-11-12-19(16(14)13-20)15(2)9-8-10-17(19)21-22(6,7)18(3,4)5/h9,13,17H,8,10-12H2,1-7H3/t17-,19-/m0/s1
InChIKeyLQUMQURQOVIELL-HKUYNNGSSA-N
MW320.55 g/mol
LogP5.41
Rot. Bonds3

About (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde

(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde (PubChem CID 56594957) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde.

Molecular Properties

Compound Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde
PubChem CID56594957
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde
SMILESCC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCC(C)=C2C=O
InChIInChI=1S/C19H32O2Si/c1-14-11-12-19(16(14)13-20)15(2)9-8-10-17(19)21-22(6,7)18(3,4)5/h9,13,17H,8,10-12H2,1-7H3/t17-,19-/m0/s1
InChIKeyLQUMQURQOVIELL-HKUYNNGSSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.41
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 (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde?
The IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde (CID 56594957) is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde.
What is the SMILES notation for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde?
The canonical SMILES for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde is CC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCC(C)=C2C=O.
What is the InChIKey of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde?
The InChIKey is LQUMQURQOVIELL-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-14-11-12-19(16(14)13-20)15(2)9-8-10-17(19)21-22(6,7)18(3,4)5/h9,13,17H,8,10-12H2,1-7H3/t17-,19-/m0/s1.
What are the key properties of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde?
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde has a molecular weight of 320.55 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylspiro[4.5]deca-3,9-diene-4-carbaldehyde is sourced from PubChem (CID 56594957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).