(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde

C20H38O2Si — CID 122371925

IUPAC(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde
SMILESCC(C)C1=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@](C)(C=O)CC1
InChIInChI=1S/C20H38O2Si/c1-14(2)18-10-11-20(9,13-21)19(18)12-22-23(15(3)4,16(5)6)17(7)8/h13-17H,10-12H2,1-9H3/t20-/m1/s1
InChIKeySKTNDQBNQYCWEQ-HXUWFJFHSA-N
MW338.61 g/mol
LogP6.13
Rot. Bonds8

About (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde

(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde (PubChem CID 122371925) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde
PubChem CID122371925
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde
SMILESCC(C)C1=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@](C)(C=O)CC1
InChIInChI=1S/C20H38O2Si/c1-14(2)18-10-11-20(9,13-21)19(18)12-22-23(15(3)4,16(5)6)17(7)8/h13-17H,10-12H2,1-9H3/t20-/m1/s1
InChIKeySKTNDQBNQYCWEQ-HXUWFJFHSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde?
The IUPAC name of (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde (CID 122371925) is (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde is CC(C)C1=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@](C)(C=O)CC1.
What is the InChIKey of (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde?
The InChIKey is SKTNDQBNQYCWEQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-14(2)18-10-11-20(9,13-21)19(18)12-22-23(15(3)4,16(5)6)17(7)8/h13-17H,10-12H2,1-9H3/t20-/m1/s1.
What are the key properties of (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde?
(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde has a molecular weight of 338.61 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 122371925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).