(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one

C18H36O3Si — CID 11313450

IUPAC(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one
SMILESC=CC[C@@H](O)CCCC(=O)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-11-15(19)12-10-13-16(20)18(5,6)14-21-22(7,8)17(2,3)4/h9,15,19H,1,10-14H2,2-8H3/t15-/m1/s1
InChIKeyQJBQBOFGXZHUFQ-OAHLLOKOSA-N
MW328.57 g/mol
LogP4.71
Rot. Bonds10

About (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one

(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one (PubChem CID 11313450) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one.

Molecular Properties

Compound Name(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one
PubChem CID11313450
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one
SMILESC=CC[C@@H](O)CCCC(=O)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-11-15(19)12-10-13-16(20)18(5,6)14-21-22(7,8)17(2,3)4/h9,15,19H,1,10-14H2,2-8H3/t15-/m1/s1
InChIKeyQJBQBOFGXZHUFQ-OAHLLOKOSA-N
XLogP4.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4,4,6,8-tetramethyltridec-12-en-5-one
CID 18393301
(3S,6R,7S,8S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8-tetramethyltridec-12-en-5-one
CID 11168534
(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one
CID 134957518
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11161862
(3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 12171884
(3S,6R,7S,8S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8-tetramethylundec-10-en-5-one
CID 59913498
(3S,7S,8S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8-tetramethylundec-10-en-5-one
CID 59921890
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816
(2R)-7-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-prop-2-enyloctanoic acid
CID 88005283
(7S)-7-hydroxy-2,2-dimethyl-1-sulfanyloxydec-9-en-3-one
CID 89324420
(3S,4S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 91143448
7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one;tributyl(prop-2-enyl)stannane
CID 160176630

Frequently Asked Questions

What is the IUPAC name of (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one?
The IUPAC name of (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one (CID 11313450) is (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one.
What is the SMILES notation for (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one?
The canonical SMILES for (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one is C=CC[C@@H](O)CCCC(=O)C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one?
The InChIKey is QJBQBOFGXZHUFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-11-15(19)12-10-13-16(20)18(5,6)14-21-22(7,8)17(2,3)4/h9,15,19H,1,10-14H2,2-8H3/t15-/m1/s1.
What are the key properties of (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one?
(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one has a molecular weight of 328.57 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one is sourced from PubChem (CID 11313450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).