acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane

C35H70 — CID 143325670

IUPACacetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane
SMILESC#C.C=C.C=CC1CC=C(CC)C1.CC.CC(C)C.CCC.CCC1CC(C)CC1C(C)(C)CC
InChIInChI=1S/C13H26.C9H14.C4H10.C3H8.C2H6.C2H4.C2H2/c1-6-11-8-10(3)9-12(11)13(4,5)7-2;1-3-8-5-6-9(4-2)7-8;1-4(2)3;1-3-2;3*1-2/h10-12H,6-9H2,1-5H3;3,6,8H,1,4-5,7H2,2H3;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;1-2H
InChIKeyDKBXTHOGQOFVGT-UHFFFAOYSA-N
MW490.95 g/mol
LogP12.57
Rot. Bonds5

About acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane

acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane (PubChem CID 143325670) has the molecular formula C35H70 and a molecular weight of 490.95 g/mol. Its IUPAC name is acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane.

Molecular Properties

Compound Nameacetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane
PubChem CID143325670
Molecular FormulaC35H70
Molecular Weight490.95 g/mol
Exact Mass490.55
IUPAC Nameacetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane
SMILESC#C.C=C.C=CC1CC=C(CC)C1.CC.CC(C)C.CCC.CCC1CC(C)CC1C(C)(C)CC
InChIInChI=1S/C13H26.C9H14.C4H10.C3H8.C2H6.C2H4.C2H2/c1-6-11-8-10(3)9-12(11)13(4,5)7-2;1-3-8-5-6-9(4-2)7-8;1-4(2)3;1-3-2;3*1-2/h10-12H,6-9H2,1-5H3;3,6,8H,1,4-5,7H2,2H3;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;1-2H
InChIKeyDKBXTHOGQOFVGT-UHFFFAOYSA-N
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-ethenyl-1-ethylcycloheptene
CID 141316473
2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
CID 123429982
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1-ethenyl-3-ethyl-5-methylcyclohexane
CID 144552872
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
2-(3,3,4,4,6,6,7-heptamethyloct-1-enyl)-5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 90868296
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
(4,5-diethylcyclohexen-1-yl)methanamine
CID 177194225
2-ethyl-1,3-dimethyl-4-(2-methylbutan-2-yl)cyclopentane
CID 123981733
1-chloro-2-ethyl-4-methylcyclopentane
CID 174663037
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane?
The IUPAC name of acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane (CID 143325670) is acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane.
What is the SMILES notation for acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane?
The canonical SMILES for acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane is C#C.C=C.C=CC1CC=C(CC)C1.CC.CC(C)C.CCC.CCC1CC(C)CC1C(C)(C)CC.
What is the InChIKey of acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane?
The InChIKey is DKBXTHOGQOFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C9H14.C4H10.C3H8.C2H6.C2H4.C2H2/c1-6-11-8-10(3)9-12(11)13(4,5)7-2;1-3-8-5-6-9(4-2)7-8;1-4(2)3;1-3-2;3*1-2/h10-12H,6-9H2,1-5H3;3,6,8H,1,4-5,7H2,2H3;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;1-2H.
What are the key properties of acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane?
acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane has a molecular weight of 490.95 g/mol, XLogP of 12.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane is sourced from PubChem (CID 143325670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).