2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane

C17H28O2 — CID 89323304

IUPAC2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane
SMILESC=C(C)C/C=C(/C)C(C)(C)/C=C(\CC)OCC1CO1
InChIInChI=1S/C17H28O2/c1-7-15(18-11-16-12-19-16)10-17(5,6)14(4)9-8-13(2)3/h9-10,16H,2,7-8,11-12H2,1,3-6H3/b14-9-,15-10+
InChIKeySVXPQBLZBGATAH-RRFADNKVSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds8

About 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane

2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane (PubChem CID 89323304) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane
PubChem CID89323304
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane
SMILESC=C(C)C/C=C(/C)C(C)(C)/C=C(\CC)OCC1CO1
InChIInChI=1S/C17H28O2/c1-7-15(18-11-16-12-19-16)10-17(5,6)14(4)9-8-13(2)3/h9-10,16H,2,7-8,11-12H2,1,3-6H3/b14-9-,15-10+
InChIKeySVXPQBLZBGATAH-RRFADNKVSA-N
XLogP4.63
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane (CID 89323304) is 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane is C=C(C)C/C=C(/C)C(C)(C)/C=C(\CC)OCC1CO1.
What is the InChIKey of 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane?
The InChIKey is SVXPQBLZBGATAH-RRFADNKVSA-N. The full InChI is InChI=1S/C17H28O2/c1-7-15(18-11-16-12-19-16)10-17(5,6)14(4)9-8-13(2)3/h9-10,16H,2,7-8,11-12H2,1,3-6H3/b14-9-,15-10+.
What are the key properties of 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane?
2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane has a molecular weight of 264.41 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,6Z)-5,5,6,9-tetramethyldeca-3,6,9-trien-3-yl]oxymethyl]oxirane is sourced from PubChem (CID 89323304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).