8,11-dioxadispiro[4.1.47.35]tetradecan-14-one

C12H18O3 — CID 118971466

IUPAC8,11-dioxadispiro[4.1.47.35]tetradecan-14-one
SMILESO=C1CCC2(CC13CCCC3)OCCO2
InChIInChI=1S/C12H18O3/c13-10-3-6-12(14-7-8-15-12)9-11(10)4-1-2-5-11/h1-9H2
InChIKeyIPVBWTJJCQVBIY-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.04
Rot. Bonds

About 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one

8,11-dioxadispiro[4.1.47.35]tetradecan-14-one (PubChem CID 118971466) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one.

Molecular Properties

Compound Name8,11-dioxadispiro[4.1.47.35]tetradecan-14-one
PubChem CID118971466
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name8,11-dioxadispiro[4.1.47.35]tetradecan-14-one
SMILESO=C1CCC2(CC13CCCC3)OCCO2
InChIInChI=1S/C12H18O3/c13-10-3-6-12(14-7-8-15-12)9-11(10)4-1-2-5-11/h1-9H2
InChIKeyIPVBWTJJCQVBIY-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one?
The IUPAC name of 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one (CID 118971466) is 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one.
What is the SMILES notation for 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one?
The canonical SMILES for 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one is O=C1CCC2(CC13CCCC3)OCCO2.
What is the InChIKey of 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one?
The InChIKey is IPVBWTJJCQVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-3-6-12(14-7-8-15-12)9-11(10)4-1-2-5-11/h1-9H2.
What are the key properties of 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one?
8,11-dioxadispiro[4.1.47.35]tetradecan-14-one has a molecular weight of 210.27 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dioxadispiro[4.1.47.35]tetradecan-14-one is sourced from PubChem (CID 118971466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).