(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane

C15H28O2 — CID 166779909

IUPAC(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane
SMILESC=C(C)CCCCCCOC[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C15H28O2/c1-13(2)8-6-4-5-7-11-16-12-15-10-9-14(3)17-15/h14-15H,1,4-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyBMIFXHZNEAQPGG-GJZGRUSLSA-N
MW240.39 g/mol
LogP4.10
Rot. Bonds9

About (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane

(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane (PubChem CID 166779909) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane.

Molecular Properties

Compound Name(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane
PubChem CID166779909
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane
SMILESC=C(C)CCCCCCOC[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C15H28O2/c1-13(2)8-6-4-5-7-11-16-12-15-10-9-14(3)17-15/h14-15H,1,4-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyBMIFXHZNEAQPGG-GJZGRUSLSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane?
The IUPAC name of (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane (CID 166779909) is (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane.
What is the SMILES notation for (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane?
The canonical SMILES for (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane is C=C(C)CCCCCCOC[C@@H]1CC[C@H](C)O1.
What is the InChIKey of (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane?
The InChIKey is BMIFXHZNEAQPGG-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)8-6-4-5-7-11-16-12-15-10-9-14(3)17-15/h14-15H,1,4-12H2,2-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane?
(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane has a molecular weight of 240.39 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane is sourced from PubChem (CID 166779909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).