(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane

C12H16O3Si — CID 175479271

IUPAC(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane
SMILES[SiH3]OC1CC2OC(c3ccccc3)OC2C1
InChIInChI=1S/C12H16O3Si/c16-15-9-6-10-11(7-9)14-12(13-10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,16H3
InChIKeyDJVZFFHJZISRLV-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.93
Rot. Bonds2

About (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane

(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane (PubChem CID 175479271) has the molecular formula C12H16O3Si and a molecular weight of 236.34 g/mol. Its IUPAC name is (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane.

Molecular Properties

Compound Name(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane
PubChem CID175479271
Molecular FormulaC12H16O3Si
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane
SMILES[SiH3]OC1CC2OC(c3ccccc3)OC2C1
InChIInChI=1S/C12H16O3Si/c16-15-9-6-10-11(7-9)14-12(13-10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,16H3
InChIKeyDJVZFFHJZISRLV-UHFFFAOYSA-N
XLogP0.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.93
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

(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518
(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
CID 11128285
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzoate
CID 22910957
[(2R,4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-methylbenzoate
CID 96925827
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane
CID 16687093
(3aS,6aR)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 146554515
(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
CID 59911486

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane?
The IUPAC name of (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane (CID 175479271) is (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane.
What is the SMILES notation for (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane?
The canonical SMILES for (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane is [SiH3]OC1CC2OC(c3ccccc3)OC2C1.
What is the InChIKey of (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane?
The InChIKey is DJVZFFHJZISRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3Si/c16-15-9-6-10-11(7-9)14-12(13-10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,16H3.
What are the key properties of (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane?
(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane has a molecular weight of 236.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane is sourced from PubChem (CID 175479271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).