(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol

C15H30O3Si — CID 135010960

IUPAC(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol
SMILESCC(C)(O)[C@H](C[Si](C)(C)C)[C@@H]1CCCC12OCCO2
InChIInChI=1S/C15H30O3Si/c1-14(2,16)13(11-19(3,4)5)12-7-6-8-15(12)17-9-10-18-15/h12-13,16H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKAKNWRXFCMULMG-QWHCGFSZSA-N
MW286.49 g/mol
LogP3.25
Rot. Bonds4

About (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol

(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol (PubChem CID 135010960) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol
PubChem CID135010960
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol
SMILESCC(C)(O)[C@H](C[Si](C)(C)C)[C@@H]1CCCC12OCCO2
InChIInChI=1S/C15H30O3Si/c1-14(2,16)13(11-19(3,4)5)12-7-6-8-15(12)17-9-10-18-15/h12-13,16H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKAKNWRXFCMULMG-QWHCGFSZSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol
CID 10083873
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
CID 166200762
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
CID 23315500
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
CID 11595116
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
CID 10423166
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol?
The IUPAC name of (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol (CID 135010960) is (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol.
What is the SMILES notation for (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol?
The canonical SMILES for (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol is CC(C)(O)[C@H](C[Si](C)(C)C)[C@@H]1CCCC12OCCO2.
What is the InChIKey of (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol?
The InChIKey is KAKNWRXFCMULMG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,16)13(11-19(3,4)5)12-7-6-8-15(12)17-9-10-18-15/h12-13,16H,6-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol?
(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol has a molecular weight of 286.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol is sourced from PubChem (CID 135010960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).