(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C19H38O4Si — CID 25018183

IUPAC(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@@H](CCCCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h14-17H,9-13H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyXKCULPOZPXMNKJ-ULQDDVLXSA-N
MW358.60 g/mol
LogP5.07
Rot. Bonds9

About (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 25018183) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID25018183
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@@H](CCCCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h14-17H,9-13H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyXKCULPOZPXMNKJ-ULQDDVLXSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 102409648
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propanoyl-1,3-dioxolan-4-yl]propan-1-one
CID 162402950
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670629
(4R,5R)-2,2-dimethyl-5-nonadecyl-1,3-dioxolane-4-carbaldehyde
CID 57864636
(4S,5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59721595
CID 170946192
CID 170946192
2,2,3-Triethoxy-1-silyldecan-1-one
CID 173024892
2,2,3-Triethoxydecanal
CID 173069697
2,2,3-Triethoxy-1-(oxasilinan-2-yl)octan-1-one
CID 173216520
(4S,5R)-5-[10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]decyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10339155
(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolane-4-carbaldehyde
CID 10449085

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 25018183) is (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is C[C@@H](CCCCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is XKCULPOZPXMNKJ-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h14-17H,9-13H2,1-8H3/t15-,16-,17-/m0/s1.
What are the key properties of (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 358.60 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 25018183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).