(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal

C21H40O4Si — CID 11246102

IUPAC(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal
SMILESC[C@H](CCC=O)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,15,17-19H,11-14,16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1
InChIKeySWGNFYPCAWSPCU-FMABSTRRSA-N
MW384.63 g/mol
LogP5.48
Rot. Bonds10

About (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal

(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal (PubChem CID 11246102) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal.

Molecular Properties

Compound Name(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal
PubChem CID11246102
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal
SMILESC[C@H](CCC=O)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,15,17-19H,11-14,16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1
InChIKeySWGNFYPCAWSPCU-FMABSTRRSA-N
XLogP5.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
CID 11957837
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-enal
CID 11101112
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 58304582
(6E,8S,9R,11Z)-9-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadeca-6,11-dienal
CID 10577952
(6E,8S,9S,11Z)-9-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadeca-6,11-dienal
CID 10744584
(6R)-6-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4S,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]heptan-3-one
CID 11215512
(1R,2S,4S)-2-[(E,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(2-methoxyethoxymethoxy)cyclopentane-1-carbaldehyde
CID 11729647

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal?
The IUPAC name of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal (CID 11246102) is (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal.
What is the SMILES notation for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal?
The canonical SMILES for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal is C[C@H](CCC=O)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal?
The InChIKey is SWGNFYPCAWSPCU-FMABSTRRSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,15,17-19H,11-14,16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1.
What are the key properties of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal?
(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal has a molecular weight of 384.63 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal is sourced from PubChem (CID 11246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).