2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol

C11H22O3 — CID 14689313

IUPAC2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
SMILESCC(C)C(O)CCCC1(C)OCCO1
InChIInChI=1S/C11H22O3/c1-9(2)10(12)5-4-6-11(3)13-7-8-14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyWLBXWINIPUXVIV-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol

2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol (PubChem CID 14689313) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
PubChem CID14689313
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
SMILESCC(C)C(O)CCCC1(C)OCCO1
InChIInChI=1S/C11H22O3/c1-9(2)10(12)5-4-6-11(3)13-7-8-14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyWLBXWINIPUXVIV-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-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol?
The IUPAC name of 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol (CID 14689313) is 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol?
The canonical SMILES for 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol is CC(C)C(O)CCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol?
The InChIKey is WLBXWINIPUXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)10(12)5-4-6-11(3)13-7-8-14-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol?
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-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-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 14689313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).