hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane

C11H22O3Si — CID 102509935

IUPAChydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
SMILESC/C(=C\COC1CCCCO1)[Si](C)(C)O
InChIInChI=1S/C11H22O3Si/c1-10(15(2,3)12)7-9-14-11-6-4-5-8-13-11/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyIINSNAMIWXGGRT-JXMROGBWSA-N
MW230.38 g/mol
LogP2.21
Rot. Bonds4

About hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane

hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane (PubChem CID 102509935) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
PubChem CID102509935
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namehydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
SMILESC/C(=C\COC1CCCCO1)[Si](C)(C)O
InChIInChI=1S/C11H22O3Si/c1-10(15(2,3)12)7-9-14-11-6-4-5-8-13-11/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyIINSNAMIWXGGRT-JXMROGBWSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane (CID 102509935) is hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane is C/C(=C\COC1CCCCO1)[Si](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane?
The InChIKey is IINSNAMIWXGGRT-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(15(2,3)12)7-9-14-11-6-4-5-8-13-11/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane?
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane has a molecular weight of 230.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane is sourced from PubChem (CID 102509935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).