(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid

C9H16O5 — CID 154968308

IUPAC(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
SMILESCCCC1(C)OC[C@](O)(C(=O)O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-8(2)6(10)9(13,5-14-8)7(11)12/h6,10,13H,3-5H2,1-2H3,(H,11,12)/t6-,8?,9+/m0/s1
InChIKeyDBODMMXNYTYDDJ-WGQGIHMKSA-N
MW204.22 g/mol
LogP-0.25
Rot. Bonds3

About (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid

(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid (PubChem CID 154968308) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
PubChem CID154968308
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
SMILESCCCC1(C)OC[C@](O)(C(=O)O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-8(2)6(10)9(13,5-14-8)7(11)12/h6,10,13H,3-5H2,1-2H3,(H,11,12)/t6-,8?,9+/m0/s1
InChIKeyDBODMMXNYTYDDJ-WGQGIHMKSA-N
XLogP-0.25
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
CID 154968315
(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol
CID 70468172
2-propyl-1,3-oxathiolane-2-carboxylic acid
CID 174267361
3-hydroxy-3-methyl-1-propylcyclobutane-1-carboxylic acid
CID 115014004
(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 15203100
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
3-bromo-2-methyl-2-propyloxirane
CID 141287947
(3S,3aR,6R,6aR)-3,6-dihydroxy-2,3,5,6a-tetrahydrofuro[3,2-b]furan-3a,6-dicarboxylic acid
CID 175015440
2-hexyl-5-methyl-1,3-dioxane-5-carboxylic acid
CID 3477078
2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid
CID 90101736
2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
CID 66981661
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid?
The IUPAC name of (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid (CID 154968308) is (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid is CCCC1(C)OC[C@](O)(C(=O)O)[C@H]1O.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid?
The InChIKey is DBODMMXNYTYDDJ-WGQGIHMKSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-4-8(2)6(10)9(13,5-14-8)7(11)12/h6,10,13H,3-5H2,1-2H3,(H,11,12)/t6-,8?,9+/m0/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid?
(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid is sourced from PubChem (CID 154968308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).