[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene

C21H30O — CID 23256565

IUPAC[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene
SMILESC=CCCC(C/C=C(/C)CCOCc1ccccc1)C(=C)C
InChIInChI=1S/C21H30O/c1-5-6-12-21(18(2)3)14-13-19(4)15-16-22-17-20-10-8-7-9-11-20/h5,7-11,13,21H,1-2,6,12,14-17H2,3-4H3/b19-13-
InChIKeyZZYNGMGWJHIFHR-UYRXBGFRSA-N
MW298.47 g/mol
LogP6.09
Rot. Bonds11

About [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene

[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene (PubChem CID 23256565) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene.

Molecular Properties

Compound Name[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene
PubChem CID23256565
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene
SMILESC=CCCC(C/C=C(/C)CCOCc1ccccc1)C(=C)C
InChIInChI=1S/C21H30O/c1-5-6-12-21(18(2)3)14-13-19(4)15-16-22-17-20-10-8-7-9-11-20/h5,7-11,13,21H,1-2,6,12,14-17H2,3-4H3/b19-13-
InChIKeyZZYNGMGWJHIFHR-UYRXBGFRSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 56.09
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

3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
benzyl 2-methylhex-5-enoate
CID 14713099
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
CID 14609864
4-(bromomethyl)hept-6-enoxymethylbenzene
CID 131093267

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene?
The IUPAC name of [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene (CID 23256565) is [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene.
What is the SMILES notation for [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene?
The canonical SMILES for [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene is C=CCCC(C/C=C(/C)CCOCc1ccccc1)C(=C)C.
What is the InChIKey of [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene?
The InChIKey is ZZYNGMGWJHIFHR-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H30O/c1-5-6-12-21(18(2)3)14-13-19(4)15-16-22-17-20-10-8-7-9-11-20/h5,7-11,13,21H,1-2,6,12,14-17H2,3-4H3/b19-13-.
What are the key properties of [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene?
[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene has a molecular weight of 298.47 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene is sourced from PubChem (CID 23256565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).