ethane;4-propan-2-yl-1,3-dioxolane

C8H18O2 — CID 142062822

IUPACethane;4-propan-2-yl-1,3-dioxolane
SMILESCC.CC(C)C1COCO1
InChIInChI=1S/C6H12O2.C2H6/c1-5(2)6-3-7-4-8-6;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNLNHDTGZKYGKME-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.04
Rot. Bonds1

About ethane;4-propan-2-yl-1,3-dioxolane

ethane;4-propan-2-yl-1,3-dioxolane (PubChem CID 142062822) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1,3-dioxolane
PubChem CID142062822
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethane;4-propan-2-yl-1,3-dioxolane
SMILESCC.CC(C)C1COCO1
InChIInChI=1S/C6H12O2.C2H6/c1-5(2)6-3-7-4-8-6;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNLNHDTGZKYGKME-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1,3-dioxolane?
The IUPAC name of ethane;4-propan-2-yl-1,3-dioxolane (CID 142062822) is ethane;4-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for ethane;4-propan-2-yl-1,3-dioxolane?
The canonical SMILES for ethane;4-propan-2-yl-1,3-dioxolane is CC.CC(C)C1COCO1.
What is the InChIKey of ethane;4-propan-2-yl-1,3-dioxolane?
The InChIKey is NLNHDTGZKYGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6/c1-5(2)6-3-7-4-8-6;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-1,3-dioxolane?
ethane;4-propan-2-yl-1,3-dioxolane has a molecular weight of 146.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 142062822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).