1-decyl-4-prop-2-ynylbenzene

C19H28 — CID 91445051

IUPAC1-decyl-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C19H28/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19/h2,14-17H,3,5-13H2,1H3
InChIKeyVLVLUACRXYOFRM-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.55
Rot. Bonds10

About 1-decyl-4-prop-2-ynylbenzene

1-decyl-4-prop-2-ynylbenzene (PubChem CID 91445051) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-decyl-4-prop-2-ynylbenzene.

Molecular Properties

Compound Name1-decyl-4-prop-2-ynylbenzene
PubChem CID91445051
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-decyl-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C19H28/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19/h2,14-17H,3,5-13H2,1H3
InChIKeyVLVLUACRXYOFRM-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-decyl-4-hept-6-ynylbenzene
CID 91331883
1-butyl-4-nonylbenzene
CID 59545302
molecular hydrogen;1-propyl-4-prop-2-ynylbenzene
CID 153330140
CID 59957588
CID 59957588
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
1-ethynyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 86053598
(4-undecylphenyl)methanethiol
CID 152658546

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-prop-2-ynylbenzene?
The IUPAC name of 1-decyl-4-prop-2-ynylbenzene (CID 91445051) is 1-decyl-4-prop-2-ynylbenzene.
What is the SMILES notation for 1-decyl-4-prop-2-ynylbenzene?
The canonical SMILES for 1-decyl-4-prop-2-ynylbenzene is C#CCc1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decyl-4-prop-2-ynylbenzene?
The InChIKey is VLVLUACRXYOFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19/h2,14-17H,3,5-13H2,1H3.
What are the key properties of 1-decyl-4-prop-2-ynylbenzene?
1-decyl-4-prop-2-ynylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-prop-2-ynylbenzene is sourced from PubChem (CID 91445051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).