2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane

C15H26O2 — CID 130346110

IUPAC2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane
SMILESC/C=C\C=C(\OCC1CO1)C(C)C(C)(C)CC
InChIInChI=1S/C15H26O2/c1-6-8-9-14(17-11-13-10-16-13)12(3)15(4,5)7-2/h6,8-9,12-13H,7,10-11H2,1-5H3/b8-6-,14-9+
InChIKeySGCOWSHZDGCZAS-CURXYISGSA-N
MW238.37 g/mol
LogP3.93
Rot. Bonds7

About 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane

2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane (PubChem CID 130346110) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane
PubChem CID130346110
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane
SMILESC/C=C\C=C(\OCC1CO1)C(C)C(C)(C)CC
InChIInChI=1S/C15H26O2/c1-6-8-9-14(17-11-13-10-16-13)12(3)15(4,5)7-2/h6,8-9,12-13H,7,10-11H2,1-5H3/b8-6-,14-9+
InChIKeySGCOWSHZDGCZAS-CURXYISGSA-N
XLogP3.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane (CID 130346110) is 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane is C/C=C\C=C(\OCC1CO1)C(C)C(C)(C)CC.
What is the InChIKey of 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane?
The InChIKey is SGCOWSHZDGCZAS-CURXYISGSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-8-9-14(17-11-13-10-16-13)12(3)15(4,5)7-2/h6,8-9,12-13H,7,10-11H2,1-5H3/b8-6-,14-9+.
What are the key properties of 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane?
2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane has a molecular weight of 238.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4E)-6,7,7-trimethylnona-2,4-dien-5-yl]oxymethyl]oxirane is sourced from PubChem (CID 130346110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).