3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol

C23H38O5 — CID 163130630

IUPAC3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol
SMILESOC1CCC(C2CC3CC(C4CCC(O)CC4)OC4CC(O)CC(O2)C34)CC1
InChIInChI=1S/C23H38O5/c24-16-5-1-13(2-6-16)19-9-15-10-20(14-3-7-17(25)8-4-14)28-22-12-18(26)11-21(27-19)23(15)22/h13-26H,1-12H2
InChIKeyVIUMUVISDOMIFI-UHFFFAOYSA-N
MW394.55 g/mol
LogP2.79
Rot. Bonds2

About 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol

3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol (PubChem CID 163130630) has the molecular formula C23H38O5 and a molecular weight of 394.55 g/mol. Its IUPAC name is 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol.

Molecular Properties

Compound Name3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol
PubChem CID163130630
Molecular FormulaC23H38O5
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol
SMILESOC1CCC(C2CC3CC(C4CCC(O)CC4)OC4CC(O)CC(O2)C34)CC1
InChIInChI=1S/C23H38O5/c24-16-5-1-13(2-6-16)19-9-15-10-20(14-3-7-17(25)8-4-14)28-22-12-18(26)11-21(27-19)23(15)22/h13-26H,1-12H2
InChIKeyVIUMUVISDOMIFI-UHFFFAOYSA-N
XLogP2.79
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol with MolForge

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Related Compounds

(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 140633955
(2S,3S)-2-(4-hydroxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene-3,5,7-triol
CID 140693006
2-(4-hydroxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene-3,5,7-triol
CID 58711132
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
tricyclo[5.3.1.04,11]undecan-9-ol
CID 12869779
cyclohexane-1,4-diol
CID 11162
(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[3-(3,4-dihydroxycyclohexyl)-11-hydroxy-7-(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-4-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 163125336
(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol
CID 100917499
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
(2R,4R)-2-(oxan-4-yl)oxan-4-ol
CID 95335722
4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
CID 22216489

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol?
The IUPAC name of 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol (CID 163130630) is 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol.
What is the SMILES notation for 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol?
The canonical SMILES for 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol is OC1CCC(C2CC3CC(C4CCC(O)CC4)OC4CC(O)CC(O2)C34)CC1.
What is the InChIKey of 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol?
The InChIKey is VIUMUVISDOMIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O5/c24-16-5-1-13(2-6-16)19-9-15-10-20(14-3-7-17(25)8-4-14)28-22-12-18(26)11-21(27-19)23(15)22/h13-26H,1-12H2.
What are the key properties of 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol?
3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol has a molecular weight of 394.55 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol is sourced from PubChem (CID 163130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).