6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol

C12H22O4 — CID 21494654

IUPAC6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol
SMILESCC1(CCCC2CCCC(O)O2)OCCO1
InChIInChI=1S/C12H22O4/c1-12(14-8-9-15-12)7-3-5-10-4-2-6-11(13)16-10/h10-11,13H,2-9H2,1H3
InChIKeyOQJWOXQZECFRMC-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.81
Rot. Bonds4

About 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol

6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol (PubChem CID 21494654) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol.

Molecular Properties

Compound Name6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol
PubChem CID21494654
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol
SMILESCC1(CCCC2CCCC(O)O2)OCCO1
InChIInChI=1S/C12H22O4/c1-12(14-8-9-15-12)7-3-5-10-4-2-6-11(13)16-10/h10-11,13H,2-9H2,1H3
InChIKeyOQJWOXQZECFRMC-UHFFFAOYSA-N
XLogP1.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol?
The IUPAC name of 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol (CID 21494654) is 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol.
What is the SMILES notation for 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol?
The canonical SMILES for 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol is CC1(CCCC2CCCC(O)O2)OCCO1.
What is the InChIKey of 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol?
The InChIKey is OQJWOXQZECFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-12(14-8-9-15-12)7-3-5-10-4-2-6-11(13)16-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol?
6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol has a molecular weight of 230.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxan-2-ol is sourced from PubChem (CID 21494654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).