[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol

C19H34O8 — CID 129015256

IUPAC[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
SMILESC=CCOCCOCCOCCOC[C@@]1(CO)OCC[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C19H34O8/c1-4-6-21-8-9-22-10-11-23-12-13-24-15-19(14-20)17-16(5-7-25-19)26-18(2,3)27-17/h4,16-17,20H,1,5-15H2,2-3H3/t16-,17-,19-/m1/s1
InChIKeyPQFRRJKTZAVCQK-ZHALLVOQSA-N
MW390.47 g/mol
LogP0.91
Rot. Bonds14

About [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol

[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol (PubChem CID 129015256) has the molecular formula C19H34O8 and a molecular weight of 390.47 g/mol. Its IUPAC name is [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
PubChem CID129015256
Molecular FormulaC19H34O8
Molecular Weight390.47 g/mol
Exact Mass390.23
IUPAC Name[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
SMILESC=CCOCCOCCOCCOC[C@@]1(CO)OCC[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C19H34O8/c1-4-6-21-8-9-22-10-11-23-12-13-24-15-19(14-20)17-16(5-7-25-19)26-18(2,3)27-17/h4,16-17,20H,1,5-15H2,2-3H3/t16-,17-,19-/m1/s1
InChIKeyPQFRRJKTZAVCQK-ZHALLVOQSA-N
XLogP0.91
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol with MolForge

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Related Compounds

2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 167221514
(1S,2R,6R,8S)-4,4-dimethyl-1-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecane
CID 129136836
2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
CID 123985078
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
2-[2-[2-[2-[[(1S,2R,6R,8S)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 129015442
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
[(5S,6R)-2,2-dimethyl-6-phenylmethoxy-5-(prop-2-enoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 134845331
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
3-(4-prop-2-enoxybutyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8,9-triol
CID 11077497
[(3aR,5R,6R,6aR)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102325486
2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
CID 66587930

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol?
The IUPAC name of [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol (CID 129015256) is [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol.
What is the SMILES notation for [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol?
The canonical SMILES for [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol is C=CCOCCOCCOCCOC[C@@]1(CO)OCC[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol?
The InChIKey is PQFRRJKTZAVCQK-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H34O8/c1-4-6-21-8-9-22-10-11-23-12-13-24-15-19(14-20)17-16(5-7-25-19)26-18(2,3)27-17/h4,16-17,20H,1,5-15H2,2-3H3/t16-,17-,19-/m1/s1.
What are the key properties of [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol?
[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol has a molecular weight of 390.47 g/mol, XLogP of 0.91, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol is sourced from PubChem (CID 129015256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).