2-(2-methylpentyl)-1,3-dioxan-4-ol

C10H20O3 — CID 89310724

IUPAC2-(2-methylpentyl)-1,3-dioxan-4-ol
SMILESCCCC(C)CC1OCCC(O)O1
InChIInChI=1S/C10H20O3/c1-3-4-8(2)7-10-12-6-5-9(11)13-10/h8-11H,3-7H2,1-2H3
InChIKeyRHHJCFQNOFBXDG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-methylpentyl)-1,3-dioxan-4-ol

2-(2-methylpentyl)-1,3-dioxan-4-ol (PubChem CID 89310724) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-methylpentyl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name2-(2-methylpentyl)-1,3-dioxan-4-ol
PubChem CID89310724
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-methylpentyl)-1,3-dioxan-4-ol
SMILESCCCC(C)CC1OCCC(O)O1
InChIInChI=1S/C10H20O3/c1-3-4-8(2)7-10-12-6-5-9(11)13-10/h8-11H,3-7H2,1-2H3
InChIKeyRHHJCFQNOFBXDG-UHFFFAOYSA-N
XLogP1.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentyl)-1,3-dioxan-4-ol?
The IUPAC name of 2-(2-methylpentyl)-1,3-dioxan-4-ol (CID 89310724) is 2-(2-methylpentyl)-1,3-dioxan-4-ol.
What is the SMILES notation for 2-(2-methylpentyl)-1,3-dioxan-4-ol?
The canonical SMILES for 2-(2-methylpentyl)-1,3-dioxan-4-ol is CCCC(C)CC1OCCC(O)O1.
What is the InChIKey of 2-(2-methylpentyl)-1,3-dioxan-4-ol?
The InChIKey is RHHJCFQNOFBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-8(2)7-10-12-6-5-9(11)13-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpentyl)-1,3-dioxan-4-ol?
2-(2-methylpentyl)-1,3-dioxan-4-ol has a molecular weight of 188.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-1,3-dioxan-4-ol is sourced from PubChem (CID 89310724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).