4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol

C12H24O2Si — CID 177385840

IUPAC4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol
SMILESC=CC(C[Si](C)(C)C)C1(O)CCOCC1
InChIInChI=1S/C12H24O2Si/c1-5-11(10-15(2,3)4)12(13)6-8-14-9-7-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeyMRZNQJFXJXUNRA-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.67
Rot. Bonds4

About 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol

4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol (PubChem CID 177385840) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol
PubChem CID177385840
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol
SMILESC=CC(C[Si](C)(C)C)C1(O)CCOCC1
InChIInChI=1S/C12H24O2Si/c1-5-11(10-15(2,3)4)12(13)6-8-14-9-7-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeyMRZNQJFXJXUNRA-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-propan-2-yloxolan-3-ol
CID 95379239
4-prop-1-en-2-yloxan-4-ol
CID 75356182
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
1-(4-methoxyoxan-4-yl)prop-2-enylhydrazine
CID 105276482
4-propa-1,2-dienyloxan-4-ol
CID 139383420
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
CID 59369539
CID 59369539
4-(iodomethyl)oxan-4-ol
CID 66961892
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 114952822
2-(4-methyloxan-4-yl)acetamide
CID 137499101

Frequently Asked Questions

What is the IUPAC name of 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol?
The IUPAC name of 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol (CID 177385840) is 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol.
What is the SMILES notation for 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol?
The canonical SMILES for 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol is C=CC(C[Si](C)(C)C)C1(O)CCOCC1.
What is the InChIKey of 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol?
The InChIKey is MRZNQJFXJXUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-11(10-15(2,3)4)12(13)6-8-14-9-7-12/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol?
4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol has a molecular weight of 228.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol is sourced from PubChem (CID 177385840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).