acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane

C27H58 — CID 143683759

IUPACacetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
SMILESC#C.CC.CC.CC(C)C1CC1C.CCC1CC1CC.CCCCCCC
InChIInChI=1S/2C7H14.C7H16.2C2H6.C2H2/c1-5(2)7-4-6(7)3;1-3-6-5-7(6)4-2;1-3-5-7-6-4-2;3*1-2/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;2*1-2H3;1-2H
InChIKeyIIGXFAKJKXZXRV-UHFFFAOYSA-N
MW382.76 g/mol
LogP10.02
Rot. Bonds7

About acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane

acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane (PubChem CID 143683759) has the molecular formula C27H58 and a molecular weight of 382.76 g/mol. Its IUPAC name is acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Nameacetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
PubChem CID143683759
Molecular FormulaC27H58
Molecular Weight382.76 g/mol
Exact Mass382.45
IUPAC Nameacetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
SMILESC#C.CC.CC.CC(C)C1CC1C.CCC1CC1CC.CCCCCCC
InChIInChI=1S/2C7H14.C7H16.2C2H6.C2H2/c1-5(2)7-4-6(7)3;1-3-6-5-7(6)4-2;1-3-5-7-6-4-2;3*1-2/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;2*1-2H3;1-2H
InChIKeyIIGXFAKJKXZXRV-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.76
LogP ≤ 510.02
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'}

Analyze acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane with MolForge

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Related Compounds

1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
CID 123179311
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869

Frequently Asked Questions

What is the IUPAC name of acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane (CID 143683759) is acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane is C#C.CC.CC.CC(C)C1CC1C.CCC1CC1CC.CCCCCCC.
What is the InChIKey of acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is IIGXFAKJKXZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14.C7H16.2C2H6.C2H2/c1-5(2)7-4-6(7)3;1-3-6-5-7(6)4-2;1-3-5-7-6-4-2;3*1-2/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;2*1-2H3;1-2H.
What are the key properties of acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane?
acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 382.76 g/mol, XLogP of 10.02, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 143683759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).