1,9-bis(3-methylbut-2-enoxy)nonane

C19H36O2 — CID 162681584

IUPAC1,9-bis(3-methylbut-2-enoxy)nonane
SMILESCC(C)=CCOCCCCCCCCCOCC=C(C)C
InChIInChI=1S/C19H36O2/c1-18(2)12-16-20-14-10-8-6-5-7-9-11-15-21-17-13-19(3)4/h12-13H,5-11,14-17H2,1-4H3
InChIKeyDWYVLKKWZZMOOQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.68
Rot. Bonds14

About 1,9-bis(3-methylbut-2-enoxy)nonane

1,9-bis(3-methylbut-2-enoxy)nonane (PubChem CID 162681584) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1,9-bis(3-methylbut-2-enoxy)nonane.

Molecular Properties

Compound Name1,9-bis(3-methylbut-2-enoxy)nonane
PubChem CID162681584
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1,9-bis(3-methylbut-2-enoxy)nonane
SMILESCC(C)=CCOCCCCCCCCCOCC=C(C)C
InChIInChI=1S/C19H36O2/c1-18(2)12-16-20-14-10-8-6-5-7-9-11-15-21-17-13-19(3)4/h12-13H,5-11,14-17H2,1-4H3
InChIKeyDWYVLKKWZZMOOQ-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.68
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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Related Compounds

Allylhexadecyl ether
CID 13037788
1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
1-[(2-Methylprop-2-EN-1-YL)oxy]hexadecane
CID 14475897
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1-(2-Methylprop-2-enoxy)octane
CID 10954221
1-(3-Methylbut-2-enoxy)decane
CID 101441077
3-Methyl-2-butenoic acid, dodecyl ester
CID 558157
Tetradecyl 3-methyl-2-butenoate
CID 558160
3-Methyl-2-butenoic acid, octadecyl ester
CID 558164
3-Methyl-2-butenoic acid, heptadecyl ester
CID 567888
1-(4-Octoxybut-2-enoxy)octane
CID 15017869
1,12-Bis(prop-2-enoxy)dodecane
CID 23117509

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(3-methylbut-2-enoxy)nonane?
The IUPAC name of 1,9-bis(3-methylbut-2-enoxy)nonane (CID 162681584) is 1,9-bis(3-methylbut-2-enoxy)nonane.
What is the SMILES notation for 1,9-bis(3-methylbut-2-enoxy)nonane?
The canonical SMILES for 1,9-bis(3-methylbut-2-enoxy)nonane is CC(C)=CCOCCCCCCCCCOCC=C(C)C.
What is the InChIKey of 1,9-bis(3-methylbut-2-enoxy)nonane?
The InChIKey is DWYVLKKWZZMOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(2)12-16-20-14-10-8-6-5-7-9-11-15-21-17-13-19(3)4/h12-13H,5-11,14-17H2,1-4H3.
What are the key properties of 1,9-bis(3-methylbut-2-enoxy)nonane?
1,9-bis(3-methylbut-2-enoxy)nonane has a molecular weight of 296.50 g/mol, XLogP of 5.68, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(3-methylbut-2-enoxy)nonane is sourced from PubChem (CID 162681584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).