4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal

C22H42O3Si — CID 11429012

IUPAC4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal
SMILESCC(C)[Si](OCCC[C@H]1O[C@H](CCCC=O)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O3Si/c1-17(2)26(18(3)4,19(5)6)24-16-10-12-22-20(7)13-14-21(25-22)11-8-9-15-23/h13-15,17-22H,8-12,16H2,1-7H3/t20-,21+,22+/m0/s1
InChIKeyPYPVFNQNZPOEON-BHDDXSALSA-N
MW382.66 g/mol
LogP6.29
Rot. Bonds12

About 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal

4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal (PubChem CID 11429012) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal.

Molecular Properties

Compound Name4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal
PubChem CID11429012
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Name4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal
SMILESCC(C)[Si](OCCC[C@H]1O[C@H](CCCC=O)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O3Si/c1-17(2)26(18(3)4,19(5)6)24-16-10-12-22-20(7)13-14-21(25-22)11-8-9-15-23/h13-15,17-22H,8-12,16H2,1-7H3/t20-,21+,22+/m0/s1
InChIKeyPYPVFNQNZPOEON-BHDDXSALSA-N
XLogP6.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal?
The IUPAC name of 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal (CID 11429012) is 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal.
What is the SMILES notation for 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal?
The canonical SMILES for 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal is CC(C)[Si](OCCC[C@H]1O[C@H](CCCC=O)C=C[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal?
The InChIKey is PYPVFNQNZPOEON-BHDDXSALSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-17(2)26(18(3)4,19(5)6)24-16-10-12-22-20(7)13-14-21(25-22)11-8-9-15-23/h13-15,17-22H,8-12,16H2,1-7H3/t20-,21+,22+/m0/s1.
What are the key properties of 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal?
4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal has a molecular weight of 382.66 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal is sourced from PubChem (CID 11429012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).