(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene

C15H27FO — CID 142823394

IUPAC(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
SMILESCCCOCCC(C)/C(C)=C/C(C)=C\C(C)F
InChIInChI=1S/C15H27FO/c1-6-8-17-9-7-13(3)14(4)10-12(2)11-15(5)16/h10-11,13,15H,6-9H2,1-5H3/b12-11-,14-10+
InChIKeyIANJYMARGKCYJX-QOBSPMRMSA-N
MW242.38 g/mol
LogP4.69
Rot. Bonds8

About (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene

(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene (PubChem CID 142823394) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
PubChem CID142823394
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
SMILESCCCOCCC(C)/C(C)=C/C(C)=C\C(C)F
InChIInChI=1S/C15H27FO/c1-6-8-17-9-7-13(3)14(4)10-12(2)11-15(5)16/h10-11,13,15H,6-9H2,1-5H3/b12-11-,14-10+
InChIKeyIANJYMARGKCYJX-QOBSPMRMSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336639
5-(1-Fluoro-2-methoxyethyl)cyclohexa-1,3-diene
CID 70336641
1-Fluoro-6-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336647
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
CID 88905328
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335
6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247358
5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247369
6-(fluoromethyl)-5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247373
(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
CID 89420015

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene?
The IUPAC name of (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene (CID 142823394) is (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene.
What is the SMILES notation for (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene?
The canonical SMILES for (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene is CCCOCCC(C)/C(C)=C/C(C)=C\C(C)F.
What is the InChIKey of (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene?
The InChIKey is IANJYMARGKCYJX-QOBSPMRMSA-N. The full InChI is InChI=1S/C15H27FO/c1-6-8-17-9-7-13(3)14(4)10-12(2)11-15(5)16/h10-11,13,15H,6-9H2,1-5H3/b12-11-,14-10+.
What are the key properties of (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene?
(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene has a molecular weight of 242.38 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene is sourced from PubChem (CID 142823394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).