5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol

C14H30O2 — CID 87926653

IUPAC5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol
SMILESCCC(C)C(C)COCC(C)CC(C)CO
InChIInChI=1S/C14H30O2/c1-6-13(4)14(5)10-16-9-12(3)7-11(2)8-15/h11-15H,6-10H2,1-5H3
InChIKeyHGWSFBHRPTWABB-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.34
Rot. Bonds9

About 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol

5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol (PubChem CID 87926653) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol
PubChem CID87926653
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol
SMILESCCC(C)C(C)COCC(C)CC(C)CO
InChIInChI=1S/C14H30O2/c1-6-13(4)14(5)10-16-9-12(3)7-11(2)8-15/h11-15H,6-10H2,1-5H3
InChIKeyHGWSFBHRPTWABB-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol (CID 87926653) is 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol is CCC(C)C(C)COCC(C)CC(C)CO.
What is the InChIKey of 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol?
The InChIKey is HGWSFBHRPTWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-13(4)14(5)10-16-9-12(3)7-11(2)8-15/h11-15H,6-10H2,1-5H3.
What are the key properties of 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol?
5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpentoxy)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 87926653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).