[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene

C17H24O — CID 10879359

IUPAC[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
SMILESC=C(C)CCC/C=C(\C)COCc1ccccc1
InChIInChI=1S/C17H24O/c1-15(2)9-7-8-10-16(3)13-18-14-17-11-5-4-6-12-17/h4-6,10-12H,1,7-9,13-14H2,2-3H3/b16-10+
InChIKeyFNNSFBKPXNERRF-MHWRWJLKSA-N
MW244.38 g/mol
LogP4.90
Rot. Bonds8

About [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene

[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene (PubChem CID 10879359) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene.

Molecular Properties

Compound Name[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
PubChem CID10879359
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
SMILESC=C(C)CCC/C=C(\C)COCc1ccccc1
InChIInChI=1S/C17H24O/c1-15(2)9-7-8-10-16(3)13-18-14-17-11-5-4-6-12-17/h4-6,10-12H,1,7-9,13-14H2,2-3H3/b16-10+
InChIKeyFNNSFBKPXNERRF-MHWRWJLKSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.90
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

(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one
CID 135033516
8-methylnon-8-enoxymethylbenzene
CID 10776845
(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
CID 102004119
7-(2-methylprop-2-enoxy)heptoxymethylbenzene
CID 19780192
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
CID 14609864
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
2-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]-3-phenylmethoxyphenol
CID 100937122
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906

Frequently Asked Questions

What is the IUPAC name of [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene?
The IUPAC name of [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene (CID 10879359) is [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene.
What is the SMILES notation for [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene?
The canonical SMILES for [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene is C=C(C)CCC/C=C(\C)COCc1ccccc1.
What is the InChIKey of [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene?
The InChIKey is FNNSFBKPXNERRF-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H24O/c1-15(2)9-7-8-10-16(3)13-18-14-17-11-5-4-6-12-17/h4-6,10-12H,1,7-9,13-14H2,2-3H3/b16-10+.
What are the key properties of [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene?
[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene has a molecular weight of 244.38 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene is sourced from PubChem (CID 10879359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).