3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol

C24H44O7 — CID 21057340

IUPAC3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol
SMILESCCCC(CCC1C(OC2CCCCO2)CC(O)C1CC(O)CO)OC1CCCCO1
InChIInChI=1S/C24H44O7/c1-2-7-18(30-23-8-3-5-12-28-23)10-11-19-20(14-17(26)16-25)21(27)15-22(19)31-24-9-4-6-13-29-24/h17-27H,2-16H2,1H3
InChIKeyWVXUXSXPWWRJRO-UHFFFAOYSA-N
MW444.61 g/mol
LogP3.13
Rot. Bonds12

About 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol

3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol (PubChem CID 21057340) has the molecular formula C24H44O7 and a molecular weight of 444.61 g/mol. Its IUPAC name is 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol
PubChem CID21057340
Molecular FormulaC24H44O7
Molecular Weight444.61 g/mol
Exact Mass444.31
IUPAC Name3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol
SMILESCCCC(CCC1C(OC2CCCCO2)CC(O)C1CC(O)CO)OC1CCCCO1
InChIInChI=1S/C24H44O7/c1-2-7-18(30-23-8-3-5-12-28-23)10-11-19-20(14-17(26)16-25)21(27)15-22(19)31-24-9-4-6-13-29-24/h17-27H,2-16H2,1H3
InChIKeyWVXUXSXPWWRJRO-UHFFFAOYSA-N
XLogP3.13
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol with MolForge

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Related Compounds

(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)-4-phenylbutyl]cyclopentyl]acetaldehyde
CID 88826697
2-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]cyclopentyl]acetaldehyde
CID 11330416
(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol
CID 58700556
2-[(2S,3S,5R)-5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde
CID 22796217
7-[(1R,2R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]heptanoic acid
CID 18636952
(3aS,4R,5R,6aS)-6a-hydroxy-5-(oxan-2-yloxy)-4-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 22828743
(Z)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15222228
(Z)-6-(oxan-2-yloxy)non-2-enoic acid
CID 101108345
(2S,5S)-5-deuterio-2-[(1R,2R,3R,4S)-3-(2,3-dihydroxypropyl)-2-hydroxy-4-(oxan-2-yloxy)cyclopentyl]-6,6-dimethyl-5-(oxan-2-yl)-3-oxodecanal
CID 57226299
3-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(E,3S)-3-(oxan-2-yloxy)-5-phenylpent-1-enyl]cyclopentyl]propane-1,2-diol;2-[(E,3S)-1-[(1R,2R,3S,5R)-3,5-bis(oxan-2-yloxy)-2-prop-2-enylcyclopentyl]-5-phenylpent-1-en-3-yl]oxyoxane;methane
CID 159835801
(1S,2S,3R,4R)-2-(2-hydroxyethyl)-3-[(E,3S,4S)-4-methyl-3-[(2S)-oxan-2-yl]oxynon-1-en-6-ynyl]-4-(oxan-2-yloxy)cyclopentan-1-ol
CID 156904814

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol?
The IUPAC name of 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol (CID 21057340) is 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol.
What is the SMILES notation for 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol?
The canonical SMILES for 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol is CCCC(CCC1C(OC2CCCCO2)CC(O)C1CC(O)CO)OC1CCCCO1.
What is the InChIKey of 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol?
The InChIKey is WVXUXSXPWWRJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O7/c1-2-7-18(30-23-8-3-5-12-28-23)10-11-19-20(14-17(26)16-25)21(27)15-22(19)31-24-9-4-6-13-29-24/h17-27H,2-16H2,1H3.
What are the key properties of 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol?
3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol has a molecular weight of 444.61 g/mol, XLogP of 3.13, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol is sourced from PubChem (CID 21057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).