1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene

C16H24O2 — CID 174583749

IUPAC1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene
SMILESC=CC(OC(CC)COC(C)C)c1ccccc1
InChIInChI=1S/C16H24O2/c1-5-15(12-17-13(3)4)18-16(6-2)14-10-8-7-9-11-14/h6-11,13,15-16H,2,5,12H2,1,3-4H3
InChIKeyQFZOGKDYVDDROW-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.13
Rot. Bonds8

About 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene

1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene (PubChem CID 174583749) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene
PubChem CID174583749
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene
SMILESC=CC(OC(CC)COC(C)C)c1ccccc1
InChIInChI=1S/C16H24O2/c1-5-15(12-17-13(3)4)18-16(6-2)14-10-8-7-9-11-14/h6-11,13,15-16H,2,5,12H2,1,3-4H3
InChIKeyQFZOGKDYVDDROW-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
1-(1-phenylpentoxy)prop-2-enylbenzene
CID 173002800
1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
CID 174583754
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
1-methoxyprop-2-enylbenzene
CID 11029990
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
1-phenoxyprop-2-enylbenzene
CID 11735962
[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
CID 145053413
1,1-diphenyl-3-propan-2-yloxypropan-2-amine
CID 79574233
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene?
The IUPAC name of 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene (CID 174583749) is 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene.
What is the SMILES notation for 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene?
The canonical SMILES for 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene is C=CC(OC(CC)COC(C)C)c1ccccc1.
What is the InChIKey of 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene?
The InChIKey is QFZOGKDYVDDROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-15(12-17-13(3)4)18-16(6-2)14-10-8-7-9-11-14/h6-11,13,15-16H,2,5,12H2,1,3-4H3.
What are the key properties of 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene?
1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene is sourced from PubChem (CID 174583749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).