(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal

C12H22O2Si — CID 10911271

IUPAC(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
SMILESC/C(C=O)=C1\CCO[Si]1(C(C)C)C(C)C
InChIInChI=1S/C12H22O2Si/c1-9(2)15(10(3)4)12(6-7-14-15)11(5)8-13/h8-10H,6-7H2,1-5H3/b12-11-
InChIKeyIWANATJHUOGQBM-QXMHVHEDSA-N
MW226.39 g/mol
LogP3.23
Rot. Bonds3

About (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal

(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal (PubChem CID 10911271) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal.

Molecular Properties

Compound Name(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
PubChem CID10911271
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
SMILESC/C(C=O)=C1\CCO[Si]1(C(C)C)C(C)C
InChIInChI=1S/C12H22O2Si/c1-9(2)15(10(3)4)12(6-7-14-15)11(5)8-13/h8-10H,6-7H2,1-5H3/b12-11-
InChIKeyIWANATJHUOGQBM-QXMHVHEDSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal?
The IUPAC name of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal (CID 10911271) is (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal.
What is the SMILES notation for (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal?
The canonical SMILES for (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal is C/C(C=O)=C1\CCO[Si]1(C(C)C)C(C)C.
What is the InChIKey of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal?
The InChIKey is IWANATJHUOGQBM-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9(2)15(10(3)4)12(6-7-14-15)11(5)8-13/h8-10H,6-7H2,1-5H3/b12-11-.
What are the key properties of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal?
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal has a molecular weight of 226.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal is sourced from PubChem (CID 10911271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).