5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C20H32O10 — CID 3083348

IUPAC5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC(C=O)C(C(O)C(O)CC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)O1
InChIInChI=1S/C20H32O10/c1-18(2)25-11(8-21)13(26-18)12(23)9(22)7-10-14-15(28-19(3,4)27-14)16-17(24-10)30-20(5,6)29-16/h8-17,22-23H,7H2,1-6H3
InChIKeyDCBBUGKPMCTVKE-UHFFFAOYSA-N
MW432.47 g/mol
LogP0.21
Rot. Bonds5

About 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 3083348) has the molecular formula C20H32O10 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID3083348
Molecular FormulaC20H32O10
Molecular Weight432.47 g/mol
Exact Mass432.20
IUPAC Name5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC(C=O)C(C(O)C(O)CC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)O1
InChIInChI=1S/C20H32O10/c1-18(2)25-11(8-21)13(26-18)12(23)9(22)7-10-14-15(28-19(3,4)27-14)16-17(24-10)30-20(5,6)29-16/h8-17,22-23H,7H2,1-6H3
InChIKeyDCBBUGKPMCTVKE-UHFFFAOYSA-N
XLogP0.21
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 3083348) is 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)OC(C=O)C(C(O)C(O)CC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)O1.
What is the InChIKey of 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is DCBBUGKPMCTVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O10/c1-18(2)25-11(8-21)13(26-18)12(23)9(22)7-10-14-15(28-19(3,4)27-14)16-17(24-10)30-20(5,6)29-16/h8-17,22-23H,7H2,1-6H3.
What are the key properties of 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 432.47 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-dihydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 3083348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).