(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane

C8H16O2 — CID 59972016

IUPAC(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane
SMILESCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H16O2/c1-4-5-7-6-9-8(2,3)10-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGLGZEAHSFAJOPP-ZETCQYMHSA-N
MW144.21 g/mol
LogP1.94
Rot. Bonds2

About (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane

(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane (PubChem CID 59972016) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane
PubChem CID59972016
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane
SMILESCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H16O2/c1-4-5-7-6-9-8(2,3)10-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGLGZEAHSFAJOPP-ZETCQYMHSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane (CID 59972016) is (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane is CCC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane?
The InChIKey is GLGZEAHSFAJOPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7-6-9-8(2,3)10-7/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane?
(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-propyl-1,3-dioxolane is sourced from PubChem (CID 59972016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).