2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol

C13H26O3 — CID 2839751

IUPAC2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
SMILESCC(CCCC(C)(C)O)CC1OCC(C)O1
InChIInChI=1S/C13H26O3/c1-10(6-5-7-13(3,4)14)8-12-15-9-11(2)16-12/h10-12,14H,5-9H2,1-4H3
InChIKeyAKZXNDJMPSPJQM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.72
Rot. Bonds6

About 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol

2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol (PubChem CID 2839751) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
PubChem CID2839751
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
SMILESCC(CCCC(C)(C)O)CC1OCC(C)O1
InChIInChI=1S/C13H26O3/c1-10(6-5-7-13(3,4)14)8-12-15-9-11(2)16-12/h10-12,14H,5-9H2,1-4H3
InChIKeyAKZXNDJMPSPJQM-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol?
The IUPAC name of 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol (CID 2839751) is 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol.
What is the SMILES notation for 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol?
The canonical SMILES for 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol is CC(CCCC(C)(C)O)CC1OCC(C)O1.
What is the InChIKey of 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol?
The InChIKey is AKZXNDJMPSPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-10(6-5-7-13(3,4)14)8-12-15-9-11(2)16-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol?
2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol is sourced from PubChem (CID 2839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).