1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane

C17H30 — CID 123138573

IUPAC1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane
SMILESC=C1CC1(CC)C1(CC(C)C(C)CC)CC1C
InChIInChI=1S/C17H30/c1-7-12(3)13(4)9-17(11-15(17)6)16(8-2)10-14(16)5/h12-13,15H,5,7-11H2,1-4,6H3
InChIKeyDIVSYAKDDAEGBS-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.44
Rot. Bonds6

About 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane

1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane (PubChem CID 123138573) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane
PubChem CID123138573
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane
SMILESC=C1CC1(CC)C1(CC(C)C(C)CC)CC1C
InChIInChI=1S/C17H30/c1-7-12(3)13(4)9-17(11-15(17)6)16(8-2)10-14(16)5/h12-13,15H,5,7-11H2,1-4,6H3
InChIKeyDIVSYAKDDAEGBS-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.44
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-Dimethyl-2-(2-methyl-2-propenyl)cyclopropane
CID 534976
1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
1,5-Dimethyl-6-methylenespiro(2.4)heptane
CID 556472
1-(4-Tert-butyl-5-methylhexa-1,5-dien-2-yl)-1-fluorocyclopropane
CID 169620909
Cyclopropane, 1-(1-methylethyl)-2-(2-methyl-1-methylenepropyl)-
CID 557213
1-(1-Methylcyclopropyl)-2-methylidenecyclopropane
CID 15208287
1-Cyclopropyl-1-methyl-2-methylidenecyclopropane
CID 123638266
1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
CID 140742695
8-Methylidene-2-prop-1-en-2-ylspiro[2.5]octane
CID 12435167
4-Methylidene-1-(prop-1-en-2-yl)spiro[2.6]nonane
CID 12435173
6-Methylidenetrispiro[2.0.0.25.14.13]nonane
CID 14787802
7-Methylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
CID 14787805

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane?
The IUPAC name of 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane (CID 123138573) is 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane.
What is the SMILES notation for 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane?
The canonical SMILES for 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane is C=C1CC1(CC)C1(CC(C)C(C)CC)CC1C.
What is the InChIKey of 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane?
The InChIKey is DIVSYAKDDAEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-12(3)13(4)9-17(11-15(17)6)16(8-2)10-14(16)5/h12-13,15H,5,7-11H2,1-4,6H3.
What are the key properties of 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane?
1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane has a molecular weight of 234.43 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane is sourced from PubChem (CID 123138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).