[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene

C16H20O — CID 142275001

IUPAC[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene
SMILESC=C/C(=C\C=C/CC(C)C)Oc1ccccc1
InChIInChI=1S/C16H20O/c1-4-15(11-9-8-10-14(2)3)17-16-12-6-5-7-13-16/h4-9,11-14H,1,10H2,2-3H3/b9-8-,15-11+
InChIKeyLZJJDJPXDHRYHX-CKHPGVLBSA-N
MW228.33 g/mol
LogP4.74
Rot. Bonds6

About [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene

[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene (PubChem CID 142275001) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene.

Molecular Properties

Compound Name[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene
PubChem CID142275001
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene
SMILESC=C/C(=C\C=C/CC(C)C)Oc1ccccc1
InChIInChI=1S/C16H20O/c1-4-15(11-9-8-10-14(2)3)17-16-12-6-5-7-13-16/h4-9,11-14H,1,10H2,2-3H3/b9-8-,15-11+
InChIKeyLZJJDJPXDHRYHX-CKHPGVLBSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one
CID 170089842
[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyphenyl]-diiodoborane
CID 144914251
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
(3E,5E)-7-imino-6-phenoxyhepta-3,5-dienoic acid
CID 163225590
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
ethane;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 144940147
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
diphenyl 2-but-3-en-2-ylpropanedioate
CID 171777600
1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-(methoxymethyl)benzene
CID 143729565
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene?
The IUPAC name of [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene (CID 142275001) is [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene.
What is the SMILES notation for [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene?
The canonical SMILES for [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene is C=C/C(=C\C=C/CC(C)C)Oc1ccccc1.
What is the InChIKey of [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene?
The InChIKey is LZJJDJPXDHRYHX-CKHPGVLBSA-N. The full InChI is InChI=1S/C16H20O/c1-4-15(11-9-8-10-14(2)3)17-16-12-6-5-7-13-16/h4-9,11-14H,1,10H2,2-3H3/b9-8-,15-11+.
What are the key properties of [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene?
[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene has a molecular weight of 228.33 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene is sourced from PubChem (CID 142275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).