5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol

C13H26O2 — CID 167210256

IUPAC5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol
SMILESCC=CC(O)C(C)(CC)OCC(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-9-11(14)13(6,8-2)15-10-12(3,4)5/h7,9,11,14H,8,10H2,1-6H3
InChIKeyZEQRDTSXZODGTE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.15
Rot. Bonds5

About 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol

5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol (PubChem CID 167210256) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol
PubChem CID167210256
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol
SMILESCC=CC(O)C(C)(CC)OCC(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-9-11(14)13(6,8-2)15-10-12(3,4)5/h7,9,11,14H,8,10H2,1-6H3
InChIKeyZEQRDTSXZODGTE-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol?
The IUPAC name of 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol (CID 167210256) is 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol is CC=CC(O)C(C)(CC)OCC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol?
The InChIKey is ZEQRDTSXZODGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-9-11(14)13(6,8-2)15-10-12(3,4)5/h7,9,11,14H,8,10H2,1-6H3.
What are the key properties of 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol?
5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol has a molecular weight of 214.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol is sourced from PubChem (CID 167210256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).