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'}

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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).