2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde

C20H38O2Si — CID 10925807

IUPAC2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde
SMILESC=C1CC[C@H](CC=O)[C@@]1(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-12-20(8)18(7)9-10-19(20)11-13-21/h13,15-17,19H,7,9-12,14H2,1-6,8H3/t19-,20+/m1/s1
InChIKeyBADVYFISAQRWDR-UXHICEINSA-N
MW338.61 g/mol
LogP6.13
Rot. Bonds9

About 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde

2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde (PubChem CID 10925807) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde
PubChem CID10925807
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde
SMILESC=C1CC[C@H](CC=O)[C@@]1(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-12-20(8)18(7)9-10-19(20)11-13-21/h13,15-17,19H,7,9-12,14H2,1-6,8H3/t19-,20+/m1/s1
InChIKeyBADVYFISAQRWDR-UXHICEINSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.13
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'}

Analyze 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
CID 46837534
2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde
CID 57412964
[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal
CID 88770783
4-[1-[Tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
CID 90037209
(1R,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroindene-4-carbaldehyde
CID 139968534
cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
CID 174136939
2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]acetaldehyde
CID 11055136
2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
CID 11323951
(2S)-2-[2-[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-5-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohexan-1-one
CID 11984367
trans-methyl (1S,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 101400105
trans-(2S,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-prop-1-en-2-ylcyclopentan-1-one
CID 102302225
(3aS,4S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6,6-trimethyl-3-methylidene-1,2,5,6a-tetrahydropentalene-3a-carbaldehyde
CID 132506187

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde (CID 10925807) is 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde is C=C1CC[C@H](CC=O)[C@@]1(C)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde?
The InChIKey is BADVYFISAQRWDR-UXHICEINSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-12-20(8)18(7)9-10-19(20)11-13-21/h13,15-17,19H,7,9-12,14H2,1-6,8H3/t19-,20+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde?
2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde has a molecular weight of 338.61 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde is sourced from PubChem (CID 10925807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).