(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene

C17H30O — CID 173288957

IUPAC(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene
SMILESC=CC(C/C=C\OCCCCC)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-7-8-14-18-15-10-13-17(6-2)12-9-11-16(3)4/h6,10-11,15,17H,2,5,7-9,12-14H2,1,3-4H3/b15-10-
InChIKeyMLMGRTYSFZOCEM-GDNBJRDFSA-N
MW250.43 g/mol
LogP5.65
Rot. Bonds11

About (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene

(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene (PubChem CID 173288957) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene.

Molecular Properties

Compound Name(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene
PubChem CID173288957
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene
SMILESC=CC(C/C=C\OCCCCC)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-7-8-14-18-15-10-13-17(6-2)12-9-11-16(3)4/h6,10-11,15,17H,2,5,7-9,12-14H2,1,3-4H3/b15-10-
InChIKeyMLMGRTYSFZOCEM-GDNBJRDFSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.65
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

5-ethenyl-2-methyldodec-2-ene
CID 134980281
2-pentoxyethenol
CID 173159715
3-pentoxyprop-2-enyl prop-2-enoate
CID 173309535
1-[(E)-but-1-enoxy]heptane
CID 5366295
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
pentyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54562218
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
CID 21082896
3-octadec-1-enoxypropan-1-ol
CID 552588
1-octa-1,6-dienoxyoctane
CID 88510416
7-methyl-3-pentyloct-6-enal
CID 21430179

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene?
The IUPAC name of (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene (CID 173288957) is (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene.
What is the SMILES notation for (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene?
The canonical SMILES for (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene is C=CC(C/C=C\OCCCCC)CCC=C(C)C.
What is the InChIKey of (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene?
The InChIKey is MLMGRTYSFZOCEM-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H30O/c1-5-7-8-14-18-15-10-13-17(6-2)12-9-11-16(3)4/h6,10-11,15,17H,2,5,7-9,12-14H2,1,3-4H3/b15-10-.
What are the key properties of (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene?
(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene has a molecular weight of 250.43 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene is sourced from PubChem (CID 173288957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).