methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate

C15H26O4 — CID 59766977

IUPACmethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
SMILESCOC(=O)CC1C(C)C(C)(C)C2(OCCO2)C1(C)C
InChIInChI=1S/C15H26O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h10-11H,7-9H2,1-6H3
InChIKeyVRNWRRFTLVWIIK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.61
Rot. Bonds2

About methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate

methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate (PubChem CID 59766977) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
PubChem CID59766977
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
SMILESCOC(=O)CC1C(C)C(C)(C)C2(OCCO2)C1(C)C
InChIInChI=1S/C15H26O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h10-11H,7-9H2,1-6H3
InChIKeyVRNWRRFTLVWIIK-UHFFFAOYSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate?
The IUPAC name of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate (CID 59766977) is methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate.
What is the SMILES notation for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate?
The canonical SMILES for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate is COC(=O)CC1C(C)C(C)(C)C2(OCCO2)C1(C)C.
What is the InChIKey of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate?
The InChIKey is VRNWRRFTLVWIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate?
methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate has a molecular weight of 270.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate is sourced from PubChem (CID 59766977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).