2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane

C20H36 — CID 142110282

IUPAC2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane
SMILESC=C(C)C(CC(=C)C(C)C(C)(C)C)C1C(CC)C1(C)C
InChIInChI=1S/C20H36/c1-11-17-18(20(17,9)10)16(13(2)3)12-14(4)15(5)19(6,7)8/h15-18H,2,4,11-12H2,1,3,5-10H3
InChIKeyYVMFHNDDFMELLK-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.49
Rot. Bonds6

About 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane

2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane (PubChem CID 142110282) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane.

Molecular Properties

Compound Name2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane
PubChem CID142110282
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane
SMILESC=C(C)C(CC(=C)C(C)C(C)(C)C)C1C(CC)C1(C)C
InChIInChI=1S/C20H36/c1-11-17-18(20(17,9)10)16(13(2)3)12-14(4)15(5)19(6,7)8/h15-18H,2,4,11-12H2,1,3,5-10H3
InChIKeyYVMFHNDDFMELLK-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
CID 143362675
but-1-ene;2,2-dimethylpropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;2-methyl-3-methylidene-4-prop-2-enylsulfanylpent-1-ene;2-methylprop-1-ene;2,3,4-trimethylhex-1-ene
CID 142109916
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
2-(3-ethyl-2,2-dimethylcyclopropyl)propanal
CID 89087106
1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
CID 143358628
2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane
CID 143355436
but-1-ene;(3S)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]pentan-2-one;3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one
CID 142109974
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
CID 123928850
3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol
CID 86019089
3-bromo-2,5,6,6-tetramethylhept-1-ene
CID 146352481
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
CID 142268322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane?
The IUPAC name of 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane (CID 142110282) is 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane.
What is the SMILES notation for 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane?
The canonical SMILES for 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane is C=C(C)C(CC(=C)C(C)C(C)(C)C)C1C(CC)C1(C)C.
What is the InChIKey of 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane?
The InChIKey is YVMFHNDDFMELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-11-17-18(20(17,9)10)16(13(2)3)12-14(4)15(5)19(6,7)8/h15-18H,2,4,11-12H2,1,3,5-10H3.
What are the key properties of 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane?
2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane has a molecular weight of 276.51 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane is sourced from PubChem (CID 142110282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).