2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane

C14H28O2 — CID 126490103

IUPAC2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane
SMILESC=C(CCC)OCC(CCC(C)(C)C)OC
InChIInChI=1S/C14H28O2/c1-7-8-12(2)16-11-13(15-6)9-10-14(3,4)5/h13H,2,7-11H2,1,3-6H3
InChIKeyHMAZAAMRNBCRBO-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.16
Rot. Bonds8

About 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane

2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane (PubChem CID 126490103) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane.

Molecular Properties

Compound Name2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane
PubChem CID126490103
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane
SMILESC=C(CCC)OCC(CCC(C)(C)C)OC
InChIInChI=1S/C14H28O2/c1-7-8-12(2)16-11-13(15-6)9-10-14(3,4)5/h13H,2,7-11H2,1,3-6H3
InChIKeyHMAZAAMRNBCRBO-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane?
The IUPAC name of 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane (CID 126490103) is 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane.
What is the SMILES notation for 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane?
The canonical SMILES for 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane is C=C(CCC)OCC(CCC(C)(C)C)OC.
What is the InChIKey of 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane?
The InChIKey is HMAZAAMRNBCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-8-12(2)16-11-13(15-6)9-10-14(3,4)5/h13H,2,7-11H2,1,3-6H3.
What are the key properties of 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane?
2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane has a molecular weight of 228.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane is sourced from PubChem (CID 126490103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).