11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene

C25H34O6 — CID 7780742

IUPAC11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
SMILESCCC[C@H](C)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C25H34O6/c1-3-6-20(2)21-9-10-24-25(19-21)31-18-14-27-12-16-29-23-8-5-4-7-22(23)28-15-11-26-13-17-30-24/h4-5,7-10,19-20H,3,6,11-18H2,1-2H3/t20-/m0/s1
InChIKeyBJXCDWOOVFYRPC-FQEVSTJZSA-N
MW430.54 g/mol
LogP4.85
Rot. Bonds3

About 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene

11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene (PubChem CID 7780742) has the molecular formula C25H34O6 and a molecular weight of 430.54 g/mol. Its IUPAC name is 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene.

Molecular Properties

Compound Name11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
PubChem CID7780742
Molecular FormulaC25H34O6
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
SMILESCCC[C@H](C)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C25H34O6/c1-3-6-20(2)21-9-10-24-25(19-21)31-18-14-27-12-16-29-23-8-5-4-7-22(23)28-15-11-26-13-17-30-24/h4-5,7-10,19-20H,3,6,11-18H2,1-2H3/t20-/m0/s1
InChIKeyBJXCDWOOVFYRPC-FQEVSTJZSA-N
XLogP4.85
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene with MolForge

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Related Compounds

6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
4-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanenitrile
CID 83922145
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine
CID 83050377
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112

Frequently Asked Questions

What is the IUPAC name of 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene?
The IUPAC name of 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene (CID 7780742) is 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene.
What is the SMILES notation for 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene?
The canonical SMILES for 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene is CCC[C@H](C)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2.
What is the InChIKey of 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene?
The InChIKey is BJXCDWOOVFYRPC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34O6/c1-3-6-20(2)21-9-10-24-25(19-21)31-18-14-27-12-16-29-23-8-5-4-7-22(23)28-15-11-26-13-17-30-24/h4-5,7-10,19-20H,3,6,11-18H2,1-2H3/t20-/m0/s1.
What are the key properties of 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene?
11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene has a molecular weight of 430.54 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene is sourced from PubChem (CID 7780742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).