acetylene;dodecylbenzene;ethane

C22H38 — CID 91021097

IUPACacetylene;dodecylbenzene;ethane
SMILESC#C.CC.CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C2H6.C2H2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;2*1-2/h11,13-14,16-17H,2-10,12,15H2,1H3;1-2H3;1-2H
InChIKeyUIZPNLPYPGGXMO-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.43
Rot. Bonds11

About acetylene;dodecylbenzene;ethane

acetylene;dodecylbenzene;ethane (PubChem CID 91021097) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is acetylene;dodecylbenzene;ethane.

Molecular Properties

Compound Nameacetylene;dodecylbenzene;ethane
PubChem CID91021097
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Nameacetylene;dodecylbenzene;ethane
SMILESC#C.CC.CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C2H6.C2H2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;2*1-2/h11,13-14,16-17H,2-10,12,15H2,1H3;1-2H3;1-2H
InChIKeyUIZPNLPYPGGXMO-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.43
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

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
but-2-yne;ethane;hexylbenzene
CID 143283302

Frequently Asked Questions

What is the IUPAC name of acetylene;dodecylbenzene;ethane?
The IUPAC name of acetylene;dodecylbenzene;ethane (CID 91021097) is acetylene;dodecylbenzene;ethane.
What is the SMILES notation for acetylene;dodecylbenzene;ethane?
The canonical SMILES for acetylene;dodecylbenzene;ethane is C#C.CC.CCCCCCCCCCCCc1ccccc1.
What is the InChIKey of acetylene;dodecylbenzene;ethane?
The InChIKey is UIZPNLPYPGGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C2H6.C2H2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;2*1-2/h11,13-14,16-17H,2-10,12,15H2,1H3;1-2H3;1-2H.
What are the key properties of acetylene;dodecylbenzene;ethane?
acetylene;dodecylbenzene;ethane has a molecular weight of 302.55 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;dodecylbenzene;ethane is sourced from PubChem (CID 91021097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).