3-cyclohexylpropa-1,2-dienoxymethylbenzene

C16H20O — CID 102201544

IUPAC3-cyclohexylpropa-1,2-dienoxymethylbenzene
SMILESC(=COCc1ccccc1)=CC1CCCCC1
InChIInChI=1S/C16H20O/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h2,5-6,10-13,15H,1,3-4,8-9,14H2
InChIKeyOHGWZUNOFHFBLT-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.45
Rot. Bonds4

About 3-cyclohexylpropa-1,2-dienoxymethylbenzene

3-cyclohexylpropa-1,2-dienoxymethylbenzene (PubChem CID 102201544) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-cyclohexylpropa-1,2-dienoxymethylbenzene.

Molecular Properties

Compound Name3-cyclohexylpropa-1,2-dienoxymethylbenzene
PubChem CID102201544
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-cyclohexylpropa-1,2-dienoxymethylbenzene
SMILESC(=COCc1ccccc1)=CC1CCCCC1
InChIInChI=1S/C16H20O/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h2,5-6,10-13,15H,1,3-4,8-9,14H2
InChIKeyOHGWZUNOFHFBLT-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylbenzene;ethenoxymethylbenzene
CID 161044898
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
azane;cyclopentyloxymethylbenzene
CID 69411306
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
benzyl bicyclo[3.2.1]octane-8-carboxylate
CID 154453040
N-cyclopentyl-N-phenylmethoxyformamide
CID 174570352
tribenzyl cyclohexyl silicate
CID 140793661
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropa-1,2-dienoxymethylbenzene?
The IUPAC name of 3-cyclohexylpropa-1,2-dienoxymethylbenzene (CID 102201544) is 3-cyclohexylpropa-1,2-dienoxymethylbenzene.
What is the SMILES notation for 3-cyclohexylpropa-1,2-dienoxymethylbenzene?
The canonical SMILES for 3-cyclohexylpropa-1,2-dienoxymethylbenzene is C(=COCc1ccccc1)=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropa-1,2-dienoxymethylbenzene?
The InChIKey is OHGWZUNOFHFBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h2,5-6,10-13,15H,1,3-4,8-9,14H2.
What are the key properties of 3-cyclohexylpropa-1,2-dienoxymethylbenzene?
3-cyclohexylpropa-1,2-dienoxymethylbenzene has a molecular weight of 228.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropa-1,2-dienoxymethylbenzene is sourced from PubChem (CID 102201544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).