(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid

C10H18O4 — CID 57413489

IUPAC(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid
SMILESCC(C)[C@]1(C(=O)O)OC(C)(C)O[C@H]1C
InChIInChI=1S/C10H18O4/c1-6(2)10(8(11)12)7(3)13-9(4,5)14-10/h6-7H,1-5H3,(H,11,12)/t7-,10-/m0/s1
InChIKeyUAKFCKACZPDGQM-XVKPBYJWSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds2

About (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid

(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid (PubChem CID 57413489) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid
PubChem CID57413489
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid
SMILESCC(C)[C@]1(C(=O)O)OC(C)(C)O[C@H]1C
InChIInChI=1S/C10H18O4/c1-6(2)10(8(11)12)7(3)13-9(4,5)14-10/h6-7H,1-5H3,(H,11,12)/t7-,10-/m0/s1
InChIKeyUAKFCKACZPDGQM-XVKPBYJWSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid (CID 57413489) is (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid is CC(C)[C@]1(C(=O)O)OC(C)(C)O[C@H]1C.
What is the InChIKey of (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is UAKFCKACZPDGQM-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)10(8(11)12)7(3)13-9(4,5)14-10/h6-7H,1-5H3,(H,11,12)/t7-,10-/m0/s1.
What are the key properties of (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid?
(4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2,5-trimethyl-4-propan-2-yl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 57413489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).