2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane

C15H24O2 — CID 89361605

IUPAC2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane
SMILESC=C(C)C/C=C\C(C)(C)/C=C(\C)OCC1CO1
InChIInChI=1S/C15H24O2/c1-12(2)7-6-8-15(4,5)9-13(3)16-10-14-11-17-14/h6,8-9,14H,1,7,10-11H2,2-5H3/b8-6-,13-9+
InChIKeyANIRROJIKGDHOU-NGRYOTTMSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds7

About 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane

2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane (PubChem CID 89361605) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane
PubChem CID89361605
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane
SMILESC=C(C)C/C=C\C(C)(C)/C=C(\C)OCC1CO1
InChIInChI=1S/C15H24O2/c1-12(2)7-6-8-15(4,5)9-13(3)16-10-14-11-17-14/h6,8-9,14H,1,7,10-11H2,2-5H3/b8-6-,13-9+
InChIKeyANIRROJIKGDHOU-NGRYOTTMSA-N
XLogP3.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.85
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-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane (CID 89361605) is 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane is C=C(C)C/C=C\C(C)(C)/C=C(\C)OCC1CO1.
What is the InChIKey of 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane?
The InChIKey is ANIRROJIKGDHOU-NGRYOTTMSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)7-6-8-15(4,5)9-13(3)16-10-14-11-17-14/h6,8-9,14H,1,7,10-11H2,2-5H3/b8-6-,13-9+.
What are the key properties of 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane?
2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane has a molecular weight of 236.35 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 89361605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).