(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane

C10H20O2 — CID 138966616

IUPAC(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane
SMILESCCC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C10H20O2/c1-6-7-8-9(2,3)12-10(4,5)11-8/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyVXJPYPVRMQWMDB-MRVPVSSYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds2

About (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane

(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane (PubChem CID 138966616) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane
PubChem CID138966616
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane
SMILESCCC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C10H20O2/c1-6-7-8-9(2,3)12-10(4,5)11-8/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyVXJPYPVRMQWMDB-MRVPVSSYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane?
The IUPAC name of (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane (CID 138966616) is (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane.
What is the SMILES notation for (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane?
The canonical SMILES for (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane is CCC[C@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane?
The InChIKey is VXJPYPVRMQWMDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-7-8-9(2,3)12-10(4,5)11-8/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane?
(5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4,4-tetramethyl-5-propyl-1,3-dioxolane is sourced from PubChem (CID 138966616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).