(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane

C20H38O10 — CID 13129325

IUPAC(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane
SMILESC1COCCOC[C@@H]2OCCOCCOCCOCCO[C@H]2COCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19-20(18-28-12-10-24-4-2-21-1)30-16-14-26-8-6-22-5-7-25-13-15-29-19/h19-20H,1-18H2/t19-,20-/m0/s1
InChIKeyGWLVWPGLVCUKDK-PMACEKPBSA-N
MW438.51 g/mol
LogP-0.08
Rot. Bonds

About (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane

(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane (PubChem CID 13129325) has the molecular formula C20H38O10 and a molecular weight of 438.51 g/mol. Its IUPAC name is (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane.

Molecular Properties

Compound Name(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane
PubChem CID13129325
Molecular FormulaC20H38O10
Molecular Weight438.51 g/mol
Exact Mass438.25
IUPAC Name(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane
SMILESC1COCCOC[C@@H]2OCCOCCOCCOCCO[C@H]2COCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19-20(18-28-12-10-24-4-2-21-1)30-16-14-26-8-6-22-5-7-25-13-15-29-19/h19-20H,1-18H2/t19-,20-/m0/s1
InChIKeyGWLVWPGLVCUKDK-PMACEKPBSA-N
XLogP-0.08
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane?
The IUPAC name of (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane (CID 13129325) is (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane.
What is the SMILES notation for (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane?
The canonical SMILES for (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane is C1COCCOC[C@@H]2OCCOCCOCCOCCO[C@H]2COCCOCCO1.
What is the InChIKey of (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane?
The InChIKey is GWLVWPGLVCUKDK-PMACEKPBSA-N. The full InChI is InChI=1S/C20H38O10/c1-3-23-9-11-27-17-19-20(18-28-12-10-24-4-2-21-1)30-16-14-26-8-6-22-5-7-25-13-15-29-19/h19-20H,1-18H2/t19-,20-/m0/s1.
What are the key properties of (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane?
(1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane has a molecular weight of 438.51 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,17S)-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[15.13.0]triacontane is sourced from PubChem (CID 13129325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).