[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol

C16H22O5 — CID 10957359

IUPAC[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol
SMILESCC(C)O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1CO
InChIInChI=1S/C16H22O5/c1-10(2)21-16-13(7-17)12(8-18-16)5-11-3-4-14-15(6-11)20-9-19-14/h3-4,6,10,12-13,16-17H,5,7-9H2,1-2H3/t12-,13+,16+/m0/s1
InChIKeyUBQWGYJGLIMDIC-WOSRLPQWSA-N
MW294.35 g/mol
LogP1.96
Rot. Bonds5

About [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol

[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol (PubChem CID 10957359) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol
PubChem CID10957359
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol
SMILESCC(C)O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1CO
InChIInChI=1S/C16H22O5/c1-10(2)21-16-13(7-17)12(8-18-16)5-11-3-4-14-15(6-11)20-9-19-14/h3-4,6,10,12-13,16-17H,5,7-9H2,1-2H3/t12-,13+,16+/m0/s1
InChIKeyUBQWGYJGLIMDIC-WOSRLPQWSA-N
XLogP1.96
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol with MolForge

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Related Compounds

5-[[(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 59800034
5-[[(2S,3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 162953579
acetic acid;3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
CID 71402885
3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol;N,N-dimethylethanamine;hydrochloride
CID 68870101
3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
CID 14137606
(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
CID 162990120
2-[(3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-yl]acetic acid
CID 127034045
1-(1,3-benzodioxol-5-yl)propan-2-ol;5-(oxiran-2-ylmethyl)-1,3-benzodioxole
CID 174391845
5-[[(3R,4R)-4-[[4-(methoxymethoxy)phenyl]methyl]-2-methyloxolan-3-yl]methyl]-1,3-benzodioxole
CID 142808443
5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole
CID 11096999
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(trimethylstannylmethyl)oxolan-2-one
CID 10927404

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol?
The IUPAC name of [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol (CID 10957359) is [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol.
What is the SMILES notation for [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol?
The canonical SMILES for [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol is CC(C)O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1CO.
What is the InChIKey of [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol?
The InChIKey is UBQWGYJGLIMDIC-WOSRLPQWSA-N. The full InChI is InChI=1S/C16H22O5/c1-10(2)21-16-13(7-17)12(8-18-16)5-11-3-4-14-15(6-11)20-9-19-14/h3-4,6,10,12-13,16-17H,5,7-9H2,1-2H3/t12-,13+,16+/m0/s1.
What are the key properties of [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol?
[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol has a molecular weight of 294.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol is sourced from PubChem (CID 10957359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).