4-methylpent-1-en-3-yloxymethylbenzene

C13H18O — CID 14644024

IUPAC4-methylpent-1-en-3-yloxymethylbenzene
SMILESC=CC(OCc1ccccc1)C(C)C
InChIInChI=1S/C13H18O/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3
InChIKeyYZHHLJXONPGSPQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.41
Rot. Bonds5

About 4-methylpent-1-en-3-yloxymethylbenzene

4-methylpent-1-en-3-yloxymethylbenzene (PubChem CID 14644024) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methylpent-1-en-3-yloxymethylbenzene.

Molecular Properties

Compound Name4-methylpent-1-en-3-yloxymethylbenzene
PubChem CID14644024
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methylpent-1-en-3-yloxymethylbenzene
SMILESC=CC(OCc1ccccc1)C(C)C
InChIInChI=1S/C13H18O/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3
InChIKeyYZHHLJXONPGSPQ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
CID 59435867
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
1-chloroprop-2-enoxymethylbenzene
CID 175273540

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-3-yloxymethylbenzene?
The IUPAC name of 4-methylpent-1-en-3-yloxymethylbenzene (CID 14644024) is 4-methylpent-1-en-3-yloxymethylbenzene.
What is the SMILES notation for 4-methylpent-1-en-3-yloxymethylbenzene?
The canonical SMILES for 4-methylpent-1-en-3-yloxymethylbenzene is C=CC(OCc1ccccc1)C(C)C.
What is the InChIKey of 4-methylpent-1-en-3-yloxymethylbenzene?
The InChIKey is YZHHLJXONPGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3.
What are the key properties of 4-methylpent-1-en-3-yloxymethylbenzene?
4-methylpent-1-en-3-yloxymethylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-3-yloxymethylbenzene is sourced from PubChem (CID 14644024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).