3,7-dimethyloct-6-enoxymethylbenzene

C17H26O — CID 11299598

IUPAC3,7-dimethyloct-6-enoxymethylbenzene
SMILESCC(C)=CCCC(C)CCOCc1ccccc1
InChIInChI=1S/C17H26O/c1-15(2)8-7-9-16(3)12-13-18-14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3
InChIKeyITLMKEZZDGLMPC-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.98
Rot. Bonds8

About 3,7-dimethyloct-6-enoxymethylbenzene

3,7-dimethyloct-6-enoxymethylbenzene (PubChem CID 11299598) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enoxymethylbenzene.

Molecular Properties

Compound Name3,7-dimethyloct-6-enoxymethylbenzene
PubChem CID11299598
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3,7-dimethyloct-6-enoxymethylbenzene
SMILESCC(C)=CCCC(C)CCOCc1ccccc1
InChIInChI=1S/C17H26O/c1-15(2)8-7-9-16(3)12-13-18-14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3
InChIKeyITLMKEZZDGLMPC-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.98
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

2,6-dimethyl-8-phenylmethoxyoct-2-enal
CID 71442461
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
CID 134859312
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
7,11-dimethyl-1-phenylmethoxydodec-10-en-2-yn-5-ol
CID 56647739
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
2-(3,7-dimethyloct-6-enoxymethyl)-5-ethylpyridine
CID 54253350
(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
CID 173253621
aniline;3,7-dimethyloct-6-enyl formate
CID 174848880
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enoxymethylbenzene?
The IUPAC name of 3,7-dimethyloct-6-enoxymethylbenzene (CID 11299598) is 3,7-dimethyloct-6-enoxymethylbenzene.
What is the SMILES notation for 3,7-dimethyloct-6-enoxymethylbenzene?
The canonical SMILES for 3,7-dimethyloct-6-enoxymethylbenzene is CC(C)=CCCC(C)CCOCc1ccccc1.
What is the InChIKey of 3,7-dimethyloct-6-enoxymethylbenzene?
The InChIKey is ITLMKEZZDGLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-15(2)8-7-9-16(3)12-13-18-14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3.
What are the key properties of 3,7-dimethyloct-6-enoxymethylbenzene?
3,7-dimethyloct-6-enoxymethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enoxymethylbenzene is sourced from PubChem (CID 11299598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).