1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde

C13H26O2Si — CID 15480706

IUPAC1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde
SMILESCC(C)[Si](OC1(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)16(11(3)4,12(5)6)15-13(9-14)7-8-13/h9-12H,7-8H2,1-6H3
InChIKeyKXIGCGAYUCTEDP-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds6

About 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde

1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde (PubChem CID 15480706) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde
PubChem CID15480706
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde
SMILESCC(C)[Si](OC1(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)16(11(3)4,12(5)6)15-13(9-14)7-8-13/h9-12H,7-8H2,1-6H3
InChIKeyKXIGCGAYUCTEDP-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde?
The IUPAC name of 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde (CID 15480706) is 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde?
The canonical SMILES for 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde is CC(C)[Si](OC1(C=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde?
The InChIKey is KXIGCGAYUCTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(2)16(11(3)4,12(5)6)15-13(9-14)7-8-13/h9-12H,7-8H2,1-6H3.
What are the key properties of 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde?
1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde has a molecular weight of 242.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyloxycyclopropane-1-carbaldehyde is sourced from PubChem (CID 15480706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).