(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal

C30H42O2Si — CID 11634036

IUPAC(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
SMILESC[C@@H](/C=C/C=O)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C30H42O2Si/c1-24(15-14-22-31)30(7)21-20-25(29(30,5)6)23-32-33(28(2,3)4,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-19,22,24-25H,20-21,23H2,1-7H3/b15-14+/t24-,25-,30+/m0/s1
InChIKeyNQNLKFWEDIMVIG-LQCFGOCGSA-N
MW462.75 g/mol
LogP6.40
Rot. Bonds8

About (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal

(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal (PubChem CID 11634036) has the molecular formula C30H42O2Si and a molecular weight of 462.75 g/mol. Its IUPAC name is (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal.

Molecular Properties

Compound Name(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
PubChem CID11634036
Molecular FormulaC30H42O2Si
Molecular Weight462.75 g/mol
Exact Mass462.30
IUPAC Name(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
SMILESC[C@@H](/C=C/C=O)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C30H42O2Si/c1-24(15-14-22-31)30(7)21-20-25(29(30,5)6)23-32-33(28(2,3)4,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-19,22,24-25H,20-21,23H2,1-7H3/b15-14+/t24-,25-,30+/m0/s1
InChIKeyNQNLKFWEDIMVIG-LQCFGOCGSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.75
LogP ≤ 56.40
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal 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

(E,4S)-4-[(1R,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 88877406
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
CID 68580534
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
CID 53492897
bis([(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane);bis([(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane);(2R)-2-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]propan-1-ol;bis((E)-3-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]prop-2-en-1-ol);bis(methyl (E)-3-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]prop-2-enoate);trans-(1S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 158246111
(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde
CID 11751686
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
(2R)-2-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-2-methoxyacetaldehyde
CID 164787145
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264430

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal?
The IUPAC name of (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal (CID 11634036) is (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal.
What is the SMILES notation for (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal?
The canonical SMILES for (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal is C[C@@H](/C=C/C=O)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C.
What is the InChIKey of (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal?
The InChIKey is NQNLKFWEDIMVIG-LQCFGOCGSA-N. The full InChI is InChI=1S/C30H42O2Si/c1-24(15-14-22-31)30(7)21-20-25(29(30,5)6)23-32-33(28(2,3)4,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-19,22,24-25H,20-21,23H2,1-7H3/b15-14+/t24-,25-,30+/m0/s1.
What are the key properties of (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal?
(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal has a molecular weight of 462.75 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal is sourced from PubChem (CID 11634036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).