ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate

C10H18O4 — CID 10560027

IUPACethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate
SMILESCCOC(=O)CC1(C(C)C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)7-10(8(2)3)13-5-6-14-10/h8H,4-7H2,1-3H3
InChIKeyNXGCFQUEQSFGID-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate

ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate (PubChem CID 10560027) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate
PubChem CID10560027
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate
SMILESCCOC(=O)CC1(C(C)C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)7-10(8(2)3)13-5-6-14-10/h8H,4-7H2,1-3H3
InChIKeyNXGCFQUEQSFGID-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate (CID 10560027) is ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate is CCOC(=O)CC1(C(C)C)OCCO1.
What is the InChIKey of ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate?
The InChIKey is NXGCFQUEQSFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-12-9(11)7-10(8(2)3)13-5-6-14-10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate?
ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 10560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).