1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene

C14H18O — CID 167259472

IUPAC1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene
SMILESC=CC(C)Oc1ccccc1C(C)C=C
InChIInChI=1S/C14H18O/c1-5-11(3)13-9-7-8-10-14(13)15-12(4)6-2/h5-12H,1-2H2,3-4H3
InChIKeySFXOXZIKYYNCRH-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.93
Rot. Bonds5

About 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene

1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene (PubChem CID 167259472) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene
PubChem CID167259472
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene
SMILESC=CC(C)Oc1ccccc1C(C)C=C
InChIInChI=1S/C14H18O/c1-5-11(3)13-9-7-8-10-14(13)15-12(4)6-2/h5-12H,1-2H2,3-4H3
InChIKeySFXOXZIKYYNCRH-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.93
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

1-bromo-2-[(2R)-but-3-en-2-yl]oxybenzene
CID 11644280
(1S)-1-(2-but-3-en-2-yloxy-4-fluorophenyl)ethanamine
CID 78936140
1-(2-but-3-en-2-yloxy-5-chlorophenyl)-N-methylethanamine
CID 62388254
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
CID 134448627
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(1-chloroprop-2-enyl)-2-methoxybenzene
CID 139328621
2-but-3-en-2-yl-N-prop-2-enylaniline
CID 45141266
calcium;2-but-3-en-2-ylbenzenesulfonic acid;hydride
CID 174836323
5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456542
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
3-but-3-en-2-yloxyphenol
CID 62384342
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
CID 66780613

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene?
The IUPAC name of 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene (CID 167259472) is 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene.
What is the SMILES notation for 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene?
The canonical SMILES for 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene is C=CC(C)Oc1ccccc1C(C)C=C.
What is the InChIKey of 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene?
The InChIKey is SFXOXZIKYYNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-11(3)13-9-7-8-10-14(13)15-12(4)6-2/h5-12H,1-2H2,3-4H3.
What are the key properties of 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene?
1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene is sourced from PubChem (CID 167259472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).