2-(2,6-dimethylhept-5-enyl)-4-methyloxane

C15H28O — CID 134993703

IUPAC2-(2,6-dimethylhept-5-enyl)-4-methyloxane
SMILESCC(C)=CCCC(C)CC1CC(C)CCO1
InChIInChI=1S/C15H28O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h6,13-15H,5,7-11H2,1-4H3
InChIKeyWVOHAYNHRLGGNZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-4-methyloxane

2-(2,6-dimethylhept-5-enyl)-4-methyloxane (PubChem CID 134993703) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-4-methyloxane.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-4-methyloxane
PubChem CID134993703
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-(2,6-dimethylhept-5-enyl)-4-methyloxane
SMILESCC(C)=CCCC(C)CC1CC(C)CCO1
InChIInChI=1S/C15H28O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h6,13-15H,5,7-11H2,1-4H3
InChIKeyWVOHAYNHRLGGNZ-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(2,6-dimethylhept-5-enyl)-4-methyloxane?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-4-methyloxane (CID 134993703) is 2-(2,6-dimethylhept-5-enyl)-4-methyloxane.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-4-methyloxane?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-4-methyloxane is CC(C)=CCCC(C)CC1CC(C)CCO1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-4-methyloxane?
The InChIKey is WVOHAYNHRLGGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h6,13-15H,5,7-11H2,1-4H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-4-methyloxane?
2-(2,6-dimethylhept-5-enyl)-4-methyloxane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-4-methyloxane is sourced from PubChem (CID 134993703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).