1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene

C23H30 — CID 142323163

IUPAC1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene
SMILESC(#CC1CCCCC1)CC1=CC=CCC1.CCc1ccccc1
InChIInChI=1S/C15H20.C8H10/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-8-6-4-3-5-7-8/h1,3,8,15H,2,4-6,9-12H2;3-7H,2H2,1H3
InChIKeyZIMUPXDFZAJWQN-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.49
Rot. Bonds2

About 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene

1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene (PubChem CID 142323163) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene.

Molecular Properties

Compound Name1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene
PubChem CID142323163
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene
SMILESC(#CC1CCCCC1)CC1=CC=CCC1.CCc1ccccc1
InChIInChI=1S/C15H20.C8H10/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-8-6-4-3-5-7-8/h1,3,8,15H,2,4-6,9-12H2;3-7H,2H2,1H3
InChIKeyZIMUPXDFZAJWQN-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropylprop-2-ynylbenzene
CID 121008116
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
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carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
ethylbenzene;methylcyclobutane
CID 176989756
ethylbenzene;2-methyloxane
CID 159203752
cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium
CID 172605218
ethylcyclodecapentaene
CID 90861705
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
tert-butylperoxycyclohexane;ethylbenzene
CID 175601662
1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
CID 160751145
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene?
The IUPAC name of 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene (CID 142323163) is 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene.
What is the SMILES notation for 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene?
The canonical SMILES for 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene is C(#CC1CCCCC1)CC1=CC=CCC1.CCc1ccccc1.
What is the InChIKey of 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene?
The InChIKey is ZIMUPXDFZAJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C8H10/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-8-6-4-3-5-7-8/h1,3,8,15H,2,4-6,9-12H2;3-7H,2H2,1H3.
What are the key properties of 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene?
1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene has a molecular weight of 306.49 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene is sourced from PubChem (CID 142323163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).