2-propan-2-yloxyprop-2-enylbenzene

C12H16O — CID 12057112

IUPAC2-propan-2-yloxyprop-2-enylbenzene
SMILESC=C(Cc1ccccc1)OC(C)C
InChIInChI=1S/C12H16O/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyJRHDWLWYOSGFSL-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.17
Rot. Bonds4

About 2-propan-2-yloxyprop-2-enylbenzene

2-propan-2-yloxyprop-2-enylbenzene (PubChem CID 12057112) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-propan-2-yloxyprop-2-enylbenzene.

Molecular Properties

Compound Name2-propan-2-yloxyprop-2-enylbenzene
PubChem CID12057112
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-propan-2-yloxyprop-2-enylbenzene
SMILESC=C(Cc1ccccc1)OC(C)C
InChIInChI=1S/C12H16O/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyJRHDWLWYOSGFSL-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.17
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

oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
methyl 2-benzylprop-2-enoate
CID 575761
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
1-prop-2-enoxyethyl 2-benzylprop-2-enoate
CID 170169026
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
2-methylidenebutylbenzene
CID 10964655
2,4-dibenzylpenta-1,4-dien-3-ol
CID 102034029
1-bromoethyl 2-phenylacetate
CID 22386448
bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
CID 134903913
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyprop-2-enylbenzene?
The IUPAC name of 2-propan-2-yloxyprop-2-enylbenzene (CID 12057112) is 2-propan-2-yloxyprop-2-enylbenzene.
What is the SMILES notation for 2-propan-2-yloxyprop-2-enylbenzene?
The canonical SMILES for 2-propan-2-yloxyprop-2-enylbenzene is C=C(Cc1ccccc1)OC(C)C.
What is the InChIKey of 2-propan-2-yloxyprop-2-enylbenzene?
The InChIKey is JRHDWLWYOSGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-propan-2-yloxyprop-2-enylbenzene?
2-propan-2-yloxyprop-2-enylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyprop-2-enylbenzene is sourced from PubChem (CID 12057112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).