(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene

C18H26O4 — CID 10518742

IUPAC(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene
SMILESC1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2
InChIInChI=1S/C18H26O4/c1-5-15(19-11-1)9-10-16(6-2-12-20-16)18(8-4-14-22-18)17(15)7-3-13-21-17/h9-10H,1-8,11-14H2/t15-,16-,17+,18+/m0/s1
InChIKeyOAEQHJKLMLZEKW-WNRNVDISSA-N
MW306.40 g/mol
LogP2.75
Rot. Bonds

About (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene

(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene (PubChem CID 10518742) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene.

Molecular Properties

Compound Name(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene
PubChem CID10518742
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene
SMILESC1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2
InChIInChI=1S/C18H26O4/c1-5-15(19-11-1)9-10-16(6-2-12-20-16)18(8-4-14-22-18)17(15)7-3-13-21-17/h9-10H,1-8,11-14H2/t15-,16-,17+,18+/m0/s1
InChIKeyOAEQHJKLMLZEKW-WNRNVDISSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene?
The IUPAC name of (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene (CID 10518742) is (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene.
What is the SMILES notation for (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene?
The canonical SMILES for (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene is C1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2.
What is the InChIKey of (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene?
The InChIKey is OAEQHJKLMLZEKW-WNRNVDISSA-N. The full InChI is InChI=1S/C18H26O4/c1-5-15(19-11-1)9-10-16(6-2-12-20-16)18(8-4-14-22-18)17(15)7-3-13-21-17/h9-10H,1-8,11-14H2/t15-,16-,17+,18+/m0/s1.
What are the key properties of (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene?
(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene has a molecular weight of 306.40 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene is sourced from PubChem (CID 10518742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).