(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one

C20H36O4Si — CID 10714090

IUPAC(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one
SMILESCC(C)[Si](OC1=C[C@@H](C)O[C@@]2(CC(=O)C[C@@H](C)O2)C1)(C(C)C)C(C)C
InChIInChI=1S/C20H36O4Si/c1-13(2)25(14(3)4,15(5)6)24-19-10-17(8)23-20(12-19)11-18(21)9-16(7)22-20/h10,13-17H,9,11-12H2,1-8H3/t16-,17-,20+/m1/s1
InChIKeyBTTCPNKPOPGPRP-HLIPFELVSA-N
MW368.59 g/mol
LogP5.34
Rot. Bonds5

About (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one

(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one (PubChem CID 10714090) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one.

Molecular Properties

Compound Name(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one
PubChem CID10714090
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one
SMILESCC(C)[Si](OC1=C[C@@H](C)O[C@@]2(CC(=O)C[C@@H](C)O2)C1)(C(C)C)C(C)C
InChIInChI=1S/C20H36O4Si/c1-13(2)25(14(3)4,15(5)6)24-19-10-17(8)23-20(12-19)11-18(21)9-16(7)22-20/h10,13-17H,9,11-12H2,1-8H3/t16-,17-,20+/m1/s1
InChIKeyBTTCPNKPOPGPRP-HLIPFELVSA-N
XLogP5.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The IUPAC name of (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one (CID 10714090) is (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one.
What is the SMILES notation for (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The canonical SMILES for (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one is CC(C)[Si](OC1=C[C@@H](C)O[C@@]2(CC(=O)C[C@@H](C)O2)C1)(C(C)C)C(C)C.
What is the InChIKey of (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The InChIKey is BTTCPNKPOPGPRP-HLIPFELVSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-13(2)25(14(3)4,15(5)6)24-19-10-17(8)23-20(12-19)11-18(21)9-16(7)22-20/h10,13-17H,9,11-12H2,1-8H3/t16-,17-,20+/m1/s1.
What are the key properties of (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one?
(2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one has a molecular weight of 368.59 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R)-2,8-dimethyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undec-3-en-10-one is sourced from PubChem (CID 10714090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).