(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane

C23H36 — CID 144920508

IUPAC(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
SMILESC.C/C=C\C.C=C.CC.CC1(C)Cc2cccc3cccc1c23
InChIInChI=1S/C14H14.C4H8.C2H6.C2H4.CH4/c1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;1-3-4-2;2*1-2;/h3-8H,9H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H2;1H4/b;4-3-;;;
InChIKeyWTAOQQRRMCMOSD-BXRJXUPASA-N
MW312.54 g/mol
LogP7.72
Rot. Bonds

About (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane

(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane (PubChem CID 144920508) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane.

Molecular Properties

Compound Name(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
PubChem CID144920508
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
SMILESC.C/C=C\C.C=C.CC.CC1(C)Cc2cccc3cccc1c23
InChIInChI=1S/C14H14.C4H8.C2H6.C2H4.CH4/c1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;1-3-4-2;2*1-2;/h3-8H,9H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H2;1H4/b;4-3-;;;
InChIKeyWTAOQQRRMCMOSD-BXRJXUPASA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
CID 11310341
1-carbamoyl-2H-acenaphthylene-1-carboxylic acid
CID 174394405
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
2,2-dichloro-1,3-dihydrophenalene
CID 174423090
2,2-dimethyl-1,3-dihydrophenalen-3-ylium
CID 146033419
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol
CID 59746012
1,1,3,3,4-pentamethyl-2H-phenalene
CID 177264595
2,2-dimethyl-5-propan-2-ylsulfanyl-1H-acenaphthylene
CID 67963568
2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane
CID 160948741
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane;ethene;methane;bis(prop-1-ene)
CID 145137691
1,2-dihydroacenaphthylene
CID 161018660

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane?
The IUPAC name of (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane (CID 144920508) is (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane.
What is the SMILES notation for (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane?
The canonical SMILES for (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane is C.C/C=C\C.C=C.CC.CC1(C)Cc2cccc3cccc1c23.
What is the InChIKey of (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane?
The InChIKey is WTAOQQRRMCMOSD-BXRJXUPASA-N. The full InChI is InChI=1S/C14H14.C4H8.C2H6.C2H4.CH4/c1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;1-3-4-2;2*1-2;/h3-8H,9H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H2;1H4/b;4-3-;;;.
What are the key properties of (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane?
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane has a molecular weight of 312.54 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane is sourced from PubChem (CID 144920508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).