1-pent-4-ynoxy-4-propan-2-ylbenzene

C14H18O — CID 82363089

IUPAC1-pent-4-ynoxy-4-propan-2-ylbenzene
SMILESC#CCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h1,7-10,12H,5-6,11H2,2-3H3
InChIKeyITVYSNFBSDCWPL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.60
Rot. Bonds5

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

1-pent-4-ynoxy-4-propan-2-ylbenzene (PubChem CID 82363089) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-pent-4-ynoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-pent-4-ynoxy-4-propan-2-ylbenzene
PubChem CID82363089
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-pent-4-ynoxy-4-propan-2-ylbenzene
SMILESC#CCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h1,7-10,12H,5-6,11H2,2-3H3
InChIKeyITVYSNFBSDCWPL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-pent-4-ynoxybenzene
CID 15045663
1-pent-4-ynoxy-4-(4-pent-4-ynoxyphenyl)benzene
CID 71601135
1-tert-butyl-4-pent-4-ynoxybenzene
CID 19983623
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
1-pent-4-ynoxy-4-(trifluoromethoxy)benzene
CID 115872232
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
4-oct-7-ynoxyphenol
CID 166068897
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-pent-4-ynoxy-4-propan-2-ylbenzene (CID 82363089) is 1-pent-4-ynoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-pent-4-ynoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-pent-4-ynoxy-4-propan-2-ylbenzene is C#CCCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-pent-4-ynoxy-4-propan-2-ylbenzene?
The InChIKey is ITVYSNFBSDCWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-5-6-11-15-14-9-7-13(8-10-14)12(2)3/h1,7-10,12H,5-6,11H2,2-3H3.
What are the key properties of 1-pent-4-ynoxy-4-propan-2-ylbenzene?
1-pent-4-ynoxy-4-propan-2-ylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 82363089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).