3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene

C20H38O — CID 22465178

IUPAC3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
SMILESC=CC(C)C(CCCCC)OC(CCCCC)C(C)C=C
InChIInChI=1S/C20H38O/c1-7-11-13-15-19(17(5)9-3)21-20(18(6)10-4)16-14-12-8-2/h9-10,17-20H,3-4,7-8,11-16H2,1-2,5-6H3
InChIKeyFYYPVODCBPAGJR-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.55
Rot. Bonds14

About 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene

3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene (PubChem CID 22465178) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene.

Molecular Properties

Compound Name3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
PubChem CID22465178
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
SMILESC=CC(C)C(CCCCC)OC(CCCCC)C(C)C=C
InChIInChI=1S/C20H38O/c1-7-11-13-15-19(17(5)9-3)21-20(18(6)10-4)16-14-12-8-2/h9-10,17-20H,3-4,7-8,11-16H2,1-2,5-6H3
InChIKeyFYYPVODCBPAGJR-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
4-ethyl-3-methyldodec-1-ene
CID 145405438
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
17-but-3-en-2-yloxytetratriacontane
CID 123670931
3-methylbut-1-ene;2-methylheptane
CID 157223055
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
10-ethenylnonadecane
CID 57244946
3-ethenylnon-1-ene
CID 123641938
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene?
The IUPAC name of 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene (CID 22465178) is 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene.
What is the SMILES notation for 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene?
The canonical SMILES for 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene is C=CC(C)C(CCCCC)OC(CCCCC)C(C)C=C.
What is the InChIKey of 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene?
The InChIKey is FYYPVODCBPAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-7-11-13-15-19(17(5)9-3)21-20(18(6)10-4)16-14-12-8-2/h9-10,17-20H,3-4,7-8,11-16H2,1-2,5-6H3.
What are the key properties of 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene?
3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene has a molecular weight of 294.52 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene is sourced from PubChem (CID 22465178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).