(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene

C13H16O — CID 15361416

IUPAC(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
SMILESC=CCOC(C(=C)C)c1ccccc1
InChIInChI=1S/C13H16O/c1-4-10-14-13(11(2)3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3
InChIKeyVGYXLSNWMPWCJW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.51
Rot. Bonds5

About (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene

(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene (PubChem CID 15361416) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene.

Molecular Properties

Compound Name(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
PubChem CID15361416
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
SMILESC=CCOC(C(=C)C)c1ccccc1
InChIInChI=1S/C13H16O/c1-4-10-14-13(11(2)3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3
InChIKeyVGYXLSNWMPWCJW-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.51
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

methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
(2-methyl-1-pentadecoxyprop-2-enyl)benzene
CID 139672728
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
(E)-2-methyl-4-phenyl-4-prop-2-enoxybut-2-enal
CID 132573827
1-but-3-enoxy-N-hydroxy-1-phenylpropan-2-imine oxide
CID 177483351
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
2-amino-2-[phenyl(prop-2-enoxy)methyl]butanoic acid
CID 156540659
1-prop-2-enoxyethyl 2-benzylprop-2-enoate
CID 170169026

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene?
The IUPAC name of (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene (CID 15361416) is (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene.
What is the SMILES notation for (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene?
The canonical SMILES for (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene is C=CCOC(C(=C)C)c1ccccc1.
What is the InChIKey of (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene?
The InChIKey is VGYXLSNWMPWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-10-14-13(11(2)3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3.
What are the key properties of (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene?
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene has a molecular weight of 188.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-prop-2-enoxyprop-2-enyl)benzene is sourced from PubChem (CID 15361416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).