(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

C21H25ClO5 — CID 70479409

IUPAC(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1c(Cl)ccc2ccccc12
InChIInChI=1S/C21H25ClO5/c1-4-16(23)17-18(19-20(25-17)27-21(2,3)26-19)24-11-14-13-8-6-5-7-12(13)9-10-15(14)22/h5-10,16-20,23H,4,11H2,1-3H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyOIJZMIVHOWTVCM-OUUBHVDSSA-N
MW392.88 g/mol
LogP4.03
Rot. Bonds5

About (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (PubChem CID 70479409) has the molecular formula C21H25ClO5 and a molecular weight of 392.88 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
PubChem CID70479409
Molecular FormulaC21H25ClO5
Molecular Weight392.88 g/mol
Exact Mass392.14
IUPAC Name(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1c(Cl)ccc2ccccc12
InChIInChI=1S/C21H25ClO5/c1-4-16(23)17-18(19-20(25-17)27-21(2,3)26-19)24-11-14-13-8-6-5-7-12(13)9-10-15(14)22/h5-10,16-20,23H,4,11H2,1-3H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyOIJZMIVHOWTVCM-OUUBHVDSSA-N
XLogP4.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol with MolForge

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Related Compounds

(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 54473641
(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chlorophenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 13454063
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(4-chlorophenyl)sulfanylethanol
CID 72713911
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(1R)-1-[(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-yn-1-ol
CID 11109943
(1R)-1-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[dimethyl(phenyl)silyl]ethanol
CID 164671259
(1S)-1-[(3aR,5R,6S,6aR)-6-[(2-bromophenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pentan-1-ol
CID 70480036
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-nitroethanol
CID 11602517
(2S)-2-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetonitrile
CID 143348073
2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile
CID 75032875
(1R)-1-[(3aS,5R,6S,6aS)-6-[(4-ethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11877048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (CID 70479409) is (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is CC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1c(Cl)ccc2ccccc12.
What is the InChIKey of (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The InChIKey is OIJZMIVHOWTVCM-OUUBHVDSSA-N. The full InChI is InChI=1S/C21H25ClO5/c1-4-16(23)17-18(19-20(25-17)27-21(2,3)26-19)24-11-14-13-8-6-5-7-12(13)9-10-15(14)22/h5-10,16-20,23H,4,11H2,1-3H3/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol has a molecular weight of 392.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chloronaphthalen-1-yl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is sourced from PubChem (CID 70479409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).