4-methylpenta-1,3-dien-2-yloxymethylbenzene

C13H16O — CID 143601127

IUPAC4-methylpenta-1,3-dien-2-yloxymethylbenzene
SMILESC=C(C=C(C)C)OCc1ccccc1
InChIInChI=1S/C13H16O/c1-11(2)9-12(3)14-10-13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3
InChIKeyGCEUMGZGNJOSDN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.68
Rot. Bonds4

About 4-methylpenta-1,3-dien-2-yloxymethylbenzene

4-methylpenta-1,3-dien-2-yloxymethylbenzene (PubChem CID 143601127) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methylpenta-1,3-dien-2-yloxymethylbenzene.

Molecular Properties

Compound Name4-methylpenta-1,3-dien-2-yloxymethylbenzene
PubChem CID143601127
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-methylpenta-1,3-dien-2-yloxymethylbenzene
SMILESC=C(C=C(C)C)OCc1ccccc1
InChIInChI=1S/C13H16O/c1-11(2)9-12(3)14-10-13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3
InChIKeyGCEUMGZGNJOSDN-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]oxymethylbenzene
CID 145085704
(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol
CID 166726203
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
dibenzyl (E)-2-methyl-4-methylidenepent-2-enedioate
CID 166766307
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
(Z)-3-phenylmethoxybut-2-enoic acid
CID 101194164
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl acetate
CID 8785
lithium 1-phenylmethoxyethenolate
CID 23696401
O-benzyl ethanethioate;hydrochloride
CID 140957923
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
benzyl 2-methylprop-2-enoate;butane
CID 174907722

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,3-dien-2-yloxymethylbenzene?
The IUPAC name of 4-methylpenta-1,3-dien-2-yloxymethylbenzene (CID 143601127) is 4-methylpenta-1,3-dien-2-yloxymethylbenzene.
What is the SMILES notation for 4-methylpenta-1,3-dien-2-yloxymethylbenzene?
The canonical SMILES for 4-methylpenta-1,3-dien-2-yloxymethylbenzene is C=C(C=C(C)C)OCc1ccccc1.
What is the InChIKey of 4-methylpenta-1,3-dien-2-yloxymethylbenzene?
The InChIKey is GCEUMGZGNJOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-11(2)9-12(3)14-10-13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 4-methylpenta-1,3-dien-2-yloxymethylbenzene?
4-methylpenta-1,3-dien-2-yloxymethylbenzene has a molecular weight of 188.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-dien-2-yloxymethylbenzene is sourced from PubChem (CID 143601127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).