(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol

C17H26O4 — CID 162744154

IUPAC(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol
SMILESCC(C)c1cc2c(cc1OC[C@H](O)CC(C)(C)C)OCO2
InChIInChI=1S/C17H26O4/c1-11(2)13-6-15-16(21-10-20-15)7-14(13)19-9-12(18)8-17(3,4)5/h6-7,11-12,18H,8-10H2,1-5H3/t12-/m1/s1
InChIKeyUVYKNNHEBVJXAE-GFCCVEGCSA-N
MW294.39 g/mol
LogP3.71
Rot. Bonds5

About (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol

(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol (PubChem CID 162744154) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol
PubChem CID162744154
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol
SMILESCC(C)c1cc2c(cc1OC[C@H](O)CC(C)(C)C)OCO2
InChIInChI=1S/C17H26O4/c1-11(2)13-6-15-16(21-10-20-15)7-14(13)19-9-12(18)8-17(3,4)5/h6-7,11-12,18H,8-10H2,1-5H3/t12-/m1/s1
InChIKeyUVYKNNHEBVJXAE-GFCCVEGCSA-N
XLogP3.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol with MolForge

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Related Compounds

1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
CID 162744144
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
1-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-3-methoxypropan-2-ol
CID 63930861
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82849900
1-methoxy-3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propan-2-ol
CID 63931069
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
3-[[6-[(cyclopropylamino)methyl]-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82850374
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
1-[[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991076
(2S)-2-amino-2-(6-ethoxy-1,3-benzodioxol-5-yl)acetic acid
CID 66510751
6-(3-butoxy-2-hydroxypropoxy)-1,3-benzodioxole-5-carbaldehyde
CID 107263272
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol?
The IUPAC name of (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol (CID 162744154) is (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol?
The canonical SMILES for (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol is CC(C)c1cc2c(cc1OC[C@H](O)CC(C)(C)C)OCO2.
What is the InChIKey of (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol?
The InChIKey is UVYKNNHEBVJXAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26O4/c1-11(2)13-6-15-16(21-10-20-15)7-14(13)19-9-12(18)8-17(3,4)5/h6-7,11-12,18H,8-10H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol?
(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol is sourced from PubChem (CID 162744154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).