1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene

C16H24O — CID 143199610

IUPAC1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C(CC)C(C)(C)C)cc1
InChIInChI=1S/C16H24O/c1-6-12-17-14-10-8-13(9-11-14)15(7-2)16(3,4)5/h6,8-11,15H,1,7,12H2,2-5H3
InChIKeyOXLLYRGIUKNMCH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.79
Rot. Bonds5

About 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene

1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene (PubChem CID 143199610) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
PubChem CID143199610
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C(CC)C(C)(C)C)cc1
InChIInChI=1S/C16H24O/c1-6-12-17-14-10-8-13(9-11-14)15(7-2)16(3,4)5/h6,8-11,15H,1,7,12H2,2-5H3
InChIKeyOXLLYRGIUKNMCH-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.79
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

(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
2,3-dibromo-3-(4-prop-2-enoxyphenyl)propan-1-amine
CID 134575639
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
CID 163568299
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 131745000
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene?
The IUPAC name of 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene (CID 143199610) is 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene is C=CCOc1ccc(C(CC)C(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene?
The InChIKey is OXLLYRGIUKNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-6-12-17-14-10-8-13(9-11-14)15(7-2)16(3,4)5/h6,8-11,15H,1,7,12H2,2-5H3.
What are the key properties of 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene?
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene is sourced from PubChem (CID 143199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).