6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one

C19H28O5 — CID 804460

IUPAC6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one
SMILESO=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2
InChIInChI=1S/C19H28O5/c20-15-16(11-21-18(22-12-16)5-1-2-6-18)9-10-17(15)13-23-19(24-14-17)7-3-4-8-19/h1-14H2
InChIKeyVPQJHSQARBCDPM-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.96
Rot. Bonds

About 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one

6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one (PubChem CID 804460) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one.

Molecular Properties

Compound Name6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one
PubChem CID804460
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one
SMILESO=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2
InChIInChI=1S/C19H28O5/c20-15-16(11-21-18(22-12-16)5-1-2-6-18)9-10-17(15)13-23-19(24-14-17)7-3-4-8-19/h1-14H2
InChIKeyVPQJHSQARBCDPM-UHFFFAOYSA-N
XLogP2.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one?
The IUPAC name of 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one (CID 804460) is 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one.
What is the SMILES notation for 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one?
The canonical SMILES for 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one is O=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2.
What is the InChIKey of 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one?
The InChIKey is VPQJHSQARBCDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O5/c20-15-16(11-21-18(22-12-16)5-1-2-6-18)9-10-17(15)13-23-19(24-14-17)7-3-4-8-19/h1-14H2.
What are the key properties of 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one?
6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one has a molecular weight of 336.43 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,18,23-tetraoxatetraspiro[4.2.1.2.413.210.28.25]tricosan-9-one is sourced from PubChem (CID 804460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).