1-pent-4-enoxy-4-propan-2-ylbenzene

C14H20O — CID 64764392

IUPAC1-pent-4-enoxy-4-propan-2-ylbenzene
SMILESC=CCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKeyLOADHSYHVHLBOF-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.16
Rot. Bonds6

About 1-pent-4-enoxy-4-propan-2-ylbenzene

1-pent-4-enoxy-4-propan-2-ylbenzene (PubChem CID 64764392) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-pent-4-enoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-pent-4-enoxy-4-propan-2-ylbenzene
PubChem CID64764392
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-pent-4-enoxy-4-propan-2-ylbenzene
SMILESC=CCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKeyLOADHSYHVHLBOF-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-pent-4-ynoxy-4-propan-2-ylbenzene
CID 82363089
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-pent-4-enoxy-4-propan-2-ylbenzene (CID 64764392) is 1-pent-4-enoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-pent-4-enoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-pent-4-enoxy-4-propan-2-ylbenzene is C=CCCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-pent-4-enoxy-4-propan-2-ylbenzene?
The InChIKey is LOADHSYHVHLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h4,7-10,12H,1,5-6,11H2,2-3H3.
What are the key properties of 1-pent-4-enoxy-4-propan-2-ylbenzene?
1-pent-4-enoxy-4-propan-2-ylbenzene has a molecular weight of 204.31 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 64764392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).