2-(2-ethylpentyl)-1,3-dioxan-5-ol

C11H22O3 — CID 150790422

IUPAC2-(2-ethylpentyl)-1,3-dioxan-5-ol
SMILESCCCC(CC)CC1OCC(O)CO1
InChIInChI=1S/C11H22O3/c1-3-5-9(4-2)6-11-13-7-10(12)8-14-11/h9-12H,3-8H2,1-2H3
InChIKeyKDSSWGURKRKZRX-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-ethylpentyl)-1,3-dioxan-5-ol

2-(2-ethylpentyl)-1,3-dioxan-5-ol (PubChem CID 150790422) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(2-ethylpentyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-(2-ethylpentyl)-1,3-dioxan-5-ol
PubChem CID150790422
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(2-ethylpentyl)-1,3-dioxan-5-ol
SMILESCCCC(CC)CC1OCC(O)CO1
InChIInChI=1S/C11H22O3/c1-3-5-9(4-2)6-11-13-7-10(12)8-14-11/h9-12H,3-8H2,1-2H3
InChIKeyKDSSWGURKRKZRX-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpentyl)-1,3-dioxan-5-ol?
The IUPAC name of 2-(2-ethylpentyl)-1,3-dioxan-5-ol (CID 150790422) is 2-(2-ethylpentyl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2-(2-ethylpentyl)-1,3-dioxan-5-ol?
The canonical SMILES for 2-(2-ethylpentyl)-1,3-dioxan-5-ol is CCCC(CC)CC1OCC(O)CO1.
What is the InChIKey of 2-(2-ethylpentyl)-1,3-dioxan-5-ol?
The InChIKey is KDSSWGURKRKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-9(4-2)6-11-13-7-10(12)8-14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(2-ethylpentyl)-1,3-dioxan-5-ol?
2-(2-ethylpentyl)-1,3-dioxan-5-ol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpentyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 150790422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).