4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol

C8H16O3 — CID 14537364

IUPAC4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCC1OCCO1
InChIInChI=1S/C8H16O3/c1-7(6-9)2-3-8-10-4-5-11-8/h7-9H,2-6H2,1H3
InChIKeyOVJVOCWNVTVKHX-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol

4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol (PubChem CID 14537364) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
PubChem CID14537364
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCC1OCCO1
InChIInChI=1S/C8H16O3/c1-7(6-9)2-3-8-10-4-5-11-8/h7-9H,2-6H2,1H3
InChIKeyOVJVOCWNVTVKHX-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol (CID 14537364) is 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol is CC(CO)CCC1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol?
The InChIKey is OVJVOCWNVTVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(6-9)2-3-8-10-4-5-11-8/h7-9H,2-6H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol?
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 14537364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).