(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol

C9H18O4 — CID 154968315

IUPAC(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
SMILESCCCC1(C)OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C9H18O4/c1-3-4-8(2)7(11)9(12,5-10)6-13-8/h7,10-12H,3-6H2,1-2H3/t7-,8?,9+/m0/s1
InChIKeyBBUOUJDIUKWTCU-UBGVJBJISA-N
MW190.24 g/mol
LogP-0.34
Rot. Bonds3

About (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol

(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol (PubChem CID 154968315) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
PubChem CID154968315
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
SMILESCCCC1(C)OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C9H18O4/c1-3-4-8(2)7(11)9(12,5-10)6-13-8/h7,10-12H,3-6H2,1-2H3/t7-,8?,9+/m0/s1
InChIKeyBBUOUJDIUKWTCU-UBGVJBJISA-N
XLogP-0.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
CID 154968308
(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol
CID 70468172
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methanol
CID 19373389
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
2,3-dimethyl-2-propyloxetane
CID 89191195
CID 58682563
CID 58682563
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
3-bromo-2-methyl-2-propyloxirane
CID 141287947
cis-(1R,2S)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 134997612
3-methyl-3-propylcyclobutan-1-ol
CID 176695385

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol (CID 154968315) is (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol is CCCC1(C)OC[C@](O)(CO)[C@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol?
The InChIKey is BBUOUJDIUKWTCU-UBGVJBJISA-N. The full InChI is InChI=1S/C9H18O4/c1-3-4-8(2)7(11)9(12,5-10)6-13-8/h7,10-12H,3-6H2,1-2H3/t7-,8?,9+/m0/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol?
(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol is sourced from PubChem (CID 154968315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).