6-ethenyloct-7-enoxybenzene

C16H22O — CID 66961410

IUPAC6-ethenyloct-7-enoxybenzene
SMILESC=CC(C=C)CCCCCOc1ccccc1
InChIInChI=1S/C16H22O/c1-3-15(4-2)11-7-6-10-14-17-16-12-8-5-9-13-16/h3-5,8-9,12-13,15H,1-2,6-7,10-11,14H2
InChIKeyPDPAAYGQLCZCBW-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.61
Rot. Bonds9

About 6-ethenyloct-7-enoxybenzene

6-ethenyloct-7-enoxybenzene (PubChem CID 66961410) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-ethenyloct-7-enoxybenzene.

Molecular Properties

Compound Name6-ethenyloct-7-enoxybenzene
PubChem CID66961410
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name6-ethenyloct-7-enoxybenzene
SMILESC=CC(C=C)CCCCCOc1ccccc1
InChIInChI=1S/C16H22O/c1-3-15(4-2)11-7-6-10-14-17-16-12-8-5-9-13-16/h3-5,8-9,12-13,15H,1-2,6-7,10-11,14H2
InChIKeyPDPAAYGQLCZCBW-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.61
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

9-phenoxynon-1-en-4-ol
CID 86063840
7,7-dichloroheptoxybenzene
CID 90974620
6-ethenoxyhexoxybenzene
CID 57094182
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
10-methyldodecoxybenzene
CID 143389992
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
(2S)-2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 87876325
2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 10220869
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
5,6-dibromohexoxybenzene
CID 91189511
penta-1,4-diene;pentoxybenzene
CID 174999180
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of 6-ethenyloct-7-enoxybenzene?
The IUPAC name of 6-ethenyloct-7-enoxybenzene (CID 66961410) is 6-ethenyloct-7-enoxybenzene.
What is the SMILES notation for 6-ethenyloct-7-enoxybenzene?
The canonical SMILES for 6-ethenyloct-7-enoxybenzene is C=CC(C=C)CCCCCOc1ccccc1.
What is the InChIKey of 6-ethenyloct-7-enoxybenzene?
The InChIKey is PDPAAYGQLCZCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-15(4-2)11-7-6-10-14-17-16-12-8-5-9-13-16/h3-5,8-9,12-13,15H,1-2,6-7,10-11,14H2.
What are the key properties of 6-ethenyloct-7-enoxybenzene?
6-ethenyloct-7-enoxybenzene has a molecular weight of 230.35 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyloct-7-enoxybenzene is sourced from PubChem (CID 66961410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).