2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol

C8H16O3 — CID 71403401

IUPAC2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
SMILESCC1(O)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6(2)7(3,4)11-8(5,9)10-6/h9H,1-5H3
InChIKeyGXYNILWWZFQVMN-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds

About 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol

2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol (PubChem CID 71403401) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
PubChem CID71403401
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
SMILESCC1(O)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6(2)7(3,4)11-8(5,9)10-6/h9H,1-5H3
InChIKeyGXYNILWWZFQVMN-UHFFFAOYSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol?
The IUPAC name of 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol (CID 71403401) is 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol?
The canonical SMILES for 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol is CC1(O)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol?
The InChIKey is GXYNILWWZFQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)7(3,4)11-8(5,9)10-6/h9H,1-5H3.
What are the key properties of 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol?
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol is sourced from PubChem (CID 71403401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).