3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one

C18H34O2Si — CID 10662777

IUPAC3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one
SMILESC=CCCC(C)(O)C(=C)C(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-10-11-12-18(9,20)16(8)17(19)21(13(2)3,14(4)5)15(6)7/h10,13-15,20H,1,8,11-12H2,2-7,9H3
InChIKeyRSDUTPXZILNRNP-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.05
Rot. Bonds9

About 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one

3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one (PubChem CID 10662777) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one
PubChem CID10662777
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one
SMILESC=CCCC(C)(O)C(=C)C(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-10-11-12-18(9,20)16(8)17(19)21(13(2)3,14(4)5)15(6)7/h10,13-15,20H,1,8,11-12H2,2-7,9H3
InChIKeyRSDUTPXZILNRNP-UHFFFAOYSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.05
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one?
The IUPAC name of 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one (CID 10662777) is 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one.
What is the SMILES notation for 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one?
The canonical SMILES for 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one is C=CCCC(C)(O)C(=C)C(=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one?
The InChIKey is RSDUTPXZILNRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-10-11-12-18(9,20)16(8)17(19)21(13(2)3,14(4)5)15(6)7/h10,13-15,20H,1,8,11-12H2,2-7,9H3.
What are the key properties of 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one?
3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one is sourced from PubChem (CID 10662777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).