(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C17H30O6 — CID 3051366

IUPAC(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H30O6/c1-6-7-8-9-18-13-12(11-10-19-16(2,3)21-11)20-15-14(13)22-17(4,5)23-15/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14?,15?/m1/s1
InChIKeyXIFPTYYNPGOLNC-DYALKNRASA-N
MW330.42 g/mol
LogP2.59
Rot. Bonds6

About (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 3051366) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID3051366
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H30O6/c1-6-7-8-9-18-13-12(11-10-19-16(2,3)21-11)20-15-14(13)22-17(4,5)23-15/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14?,15?/m1/s1
InChIKeyXIFPTYYNPGOLNC-DYALKNRASA-N
XLogP2.59
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Launch Full Analysis

Related Compounds

alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
CID 2723618
Diacetone-D-glucose
CID 7067560
1,2:3,4:5,6-Tris-O-(1-methylethylidene)hexitol
CID 316522
1,2-O-Isopropylidene-alpha-D-glucofuranose
CID 87704
alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate
CID 117426
1,2,5,6-Di-O-isopropylidene-alpha-D-allofuranose
CID 2724706
(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11806201
[(6S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] sulfamate
CID 44309709
Diacetone glucose
CID 219661
Glucofuranose, 1,2-O-isopropylidene-, alpha-D-
CID 219905
1,2:5,6-Bis-O-(1-methylethylidene)-alpha-D-allofuranose
CID 7157054
(3aR,5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 13750041

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 3051366) is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is XIFPTYYNPGOLNC-DYALKNRASA-N. The full InChI is InChI=1S/C17H30O6/c1-6-7-8-9-18-13-12(11-10-19-16(2,3)21-11)20-15-14(13)22-17(4,5)23-15/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14?,15?/m1/s1.
What are the key properties of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 330.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 3051366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).