1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane

C12H26O5 — CID 123501648

IUPAC1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane
SMILESCC.CCC(C)OCC(C)OC(=O)OCCO
InChIInChI=1S/C10H20O5.C2H6/c1-4-8(2)14-7-9(3)15-10(12)13-6-5-11;1-2/h8-9,11H,4-7H2,1-3H3;1-2H3
InChIKeyFJRQSBKENYYDHQ-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.36
Rot. Bonds7

About 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane

1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane (PubChem CID 123501648) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane.

Molecular Properties

Compound Name1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane
PubChem CID123501648
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane
SMILESCC.CCC(C)OCC(C)OC(=O)OCCO
InChIInChI=1S/C10H20O5.C2H6/c1-4-8(2)14-7-9(3)15-10(12)13-6-5-11;1-2/h8-9,11H,4-7H2,1-3H3;1-2H3
InChIKeyFJRQSBKENYYDHQ-UHFFFAOYSA-N
XLogP2.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane?
The IUPAC name of 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane (CID 123501648) is 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane.
What is the SMILES notation for 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane?
The canonical SMILES for 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane is CC.CCC(C)OCC(C)OC(=O)OCCO.
What is the InChIKey of 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane?
The InChIKey is FJRQSBKENYYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5.C2H6/c1-4-8(2)14-7-9(3)15-10(12)13-6-5-11;1-2/h8-9,11H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane?
1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane has a molecular weight of 250.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane is sourced from PubChem (CID 123501648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).