2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol

C14H28O3 — CID 72775627

IUPAC2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol
SMILESCC(CO)CC(C)CC(C)OC1CCCCO1
InChIInChI=1S/C14H28O3/c1-11(8-12(2)10-15)9-13(3)17-14-6-4-5-7-16-14/h11-15H,4-10H2,1-3H3
InChIKeySAASDAGVVSGKJN-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.96
Rot. Bonds7

About 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol

2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol (PubChem CID 72775627) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol
PubChem CID72775627
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol
SMILESCC(CO)CC(C)CC(C)OC1CCCCO1
InChIInChI=1S/C14H28O3/c1-11(8-12(2)10-15)9-13(3)17-14-6-4-5-7-16-14/h11-15H,4-10H2,1-3H3
InChIKeySAASDAGVVSGKJN-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol?
The IUPAC name of 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol (CID 72775627) is 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol.
What is the SMILES notation for 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol?
The canonical SMILES for 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol is CC(CO)CC(C)CC(C)OC1CCCCO1.
What is the InChIKey of 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol?
The InChIKey is SAASDAGVVSGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-11(8-12(2)10-15)9-13(3)17-14-6-4-5-7-16-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol?
2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(oxan-2-yloxy)heptan-1-ol is sourced from PubChem (CID 72775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).