1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene

C22H42O — CID 156702649

IUPAC1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene
SMILESC=CC(C)CCCC(C)(C)OC=C(C)CCCCCCCCC
InChIInChI=1S/C22H42O/c1-7-9-10-11-12-13-14-16-21(4)19-23-22(5,6)18-15-17-20(3)8-2/h8,19-20H,2,7,9-18H2,1,3-6H3
InChIKeyPUGOMBPHJRODFF-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.82
Rot. Bonds15

About 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene

1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene (PubChem CID 156702649) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene.

Molecular Properties

Compound Name1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene
PubChem CID156702649
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene
SMILESC=CC(C)CCCC(C)(C)OC=C(C)CCCCCCCCC
InChIInChI=1S/C22H42O/c1-7-9-10-11-12-13-14-16-21(4)19-23-22(5,6)18-15-17-20(3)8-2/h8,19-20H,2,7,9-18H2,1,3-6H3
InChIKeyPUGOMBPHJRODFF-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyloct-7-en-2-yloxymethanethiol
CID 57007334
methyl 2-(2-methyldec-1-enoxy)butanoate
CID 175395060
2,6-dimethylocta-2,7-dienyl 3-oxoundecanoate
CID 54429845
1-ethoxy-2-methylundec-1-ene
CID 175266518
acetylene;3-methylhept-1-ene;propane
CID 144520771
3,7-dimethylocta-1,6-diene;3-oxododecanoic acid
CID 87509863
3-methyltrideca-1,7-diene
CID 173000004
4-methyltetradec-3-en-2-ol
CID 71428210
4,8-dimethyl-8-pentoxynon-1-en-3-ol
CID 134207773
(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene
CID 144971934
[4-(2,6-dimethyloct-7-en-2-yloxy)-2-hydroxy-4-oxobutan-2-yl]phosphonic acid
CID 58871406
(E)-3-methylnonadec-2-ene
CID 23160392

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene?
The IUPAC name of 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene (CID 156702649) is 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene.
What is the SMILES notation for 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene?
The canonical SMILES for 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene is C=CC(C)CCCC(C)(C)OC=C(C)CCCCCCCCC.
What is the InChIKey of 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene?
The InChIKey is PUGOMBPHJRODFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-7-9-10-11-12-13-14-16-21(4)19-23-22(5,6)18-15-17-20(3)8-2/h8,19-20H,2,7,9-18H2,1,3-6H3.
What are the key properties of 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene?
1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene has a molecular weight of 322.58 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene is sourced from PubChem (CID 156702649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).