[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane

C16H26O3Si — CID 70625276

IUPAC[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(O[Si](C)(C)C)=CC1=CCCC21OCCO1
InChIInChI=1S/C16H26O3Si/c1-15-9-7-14(19-20(2,3)4)12-13(15)6-5-8-16(15)17-10-11-18-16/h6,12H,5,7-11H2,1-4H3/t15-/m0/s1
InChIKeyQUVAYMRSYRKDKU-HNNXBMFYSA-N
MW294.47 g/mol
LogP3.99
Rot. Bonds2

About [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane

[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane (PubChem CID 70625276) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane
PubChem CID70625276
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(O[Si](C)(C)C)=CC1=CCCC21OCCO1
InChIInChI=1S/C16H26O3Si/c1-15-9-7-14(19-20(2,3)4)12-13(15)6-5-8-16(15)17-10-11-18-16/h6,12H,5,7-11H2,1-4H3/t15-/m0/s1
InChIKeyQUVAYMRSYRKDKU-HNNXBMFYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
CID 134936781
trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane
CID 59804536
[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane
CID 59804548
trimethyl-[(14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane
CID 68301954
[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane
CID 10830883
((4A'S,5'R)-4A'-Allyl-3',4',4A',5',6',7'-hexahydro-1'H-spiro[[1,3]dioxolane-2,2'-naphthalene]-5'-yloxy)(tert-butyl)dimethylsilane
CID 99772248

Frequently Asked Questions

What is the IUPAC name of [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The IUPAC name of [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane (CID 70625276) is [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The canonical SMILES for [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane is C[C@]12CCC(O[Si](C)(C)C)=CC1=CCCC21OCCO1.
What is the InChIKey of [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The InChIKey is QUVAYMRSYRKDKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-15-9-7-14(19-20(2,3)4)12-13(15)6-5-8-16(15)17-10-11-18-16/h6,12H,5,7-11H2,1-4H3/t15-/m0/s1.
What are the key properties of [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane?
[(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane has a molecular weight of 294.47 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydronaphthalene]-2'-yl]oxy-trimethylsilane is sourced from PubChem (CID 70625276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).