5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene

C15H28O — CID 71370332

IUPAC5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene
SMILESCC=CCC(C)(CC=CC)COC(C)(C)C
InChIInChI=1S/C15H28O/c1-7-9-11-15(6,12-10-8-2)13-16-14(3,4)5/h7-10H,11-13H2,1-6H3
InChIKeyTWNICGQTRDSHNJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.74
Rot. Bonds6

About 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene

5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene (PubChem CID 71370332) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene.

Molecular Properties

Compound Name5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene
PubChem CID71370332
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene
SMILESCC=CCC(C)(CC=CC)COC(C)(C)C
InChIInChI=1S/C15H28O/c1-7-9-11-15(6,12-10-8-2)13-16-14(3,4)5/h7-10H,11-13H2,1-6H3
InChIKeyTWNICGQTRDSHNJ-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene?
The IUPAC name of 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene (CID 71370332) is 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene.
What is the SMILES notation for 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene?
The canonical SMILES for 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene is CC=CCC(C)(CC=CC)COC(C)(C)C.
What is the InChIKey of 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene?
The InChIKey is TWNICGQTRDSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-7-9-11-15(6,12-10-8-2)13-16-14(3,4)5/h7-10H,11-13H2,1-6H3.
What are the key properties of 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene?
5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene has a molecular weight of 224.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]nona-2,7-diene is sourced from PubChem (CID 71370332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).