1-(2-methyloctadecan-2-yl)-2-octylcyclopropene

C30H58 — CID 174767286

IUPAC1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
SMILESCCCCCCCCCCCCCCCCC(C)(C)C1=C(CCCCCCCC)C1
InChIInChI=1S/C30H58/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2/h5-27H2,1-4H3
InChIKeyVXGBGTVZUDKOLZ-UHFFFAOYSA-N
MW418.79 g/mol
LogP11.33
Rot. Bonds23

About 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene

1-(2-methyloctadecan-2-yl)-2-octylcyclopropene (PubChem CID 174767286) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene.

Molecular Properties

Compound Name1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
PubChem CID174767286
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Name1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
SMILESCCCCCCCCCCCCCCCCC(C)(C)C1=C(CCCCCCCC)C1
InChIInChI=1S/C30H58/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2/h5-27H2,1-4H3
InChIKeyVXGBGTVZUDKOLZ-UHFFFAOYSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-diheptylcyclopropene
CID 557048
1-butyl-2-hexylcyclopropene
CID 134897823
1-ethyl-2-(2-methylpentan-2-yl)cyclopropene
CID 123774813
1-bromo-2-nonylcyclopropene
CID 22621660
5,11,17,23,29,35,41,47-octakis(2-methyltridecan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 100978630
1,2-dihexylcyclohexene
CID 19795043
1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane
CID 155261797
16,16,21,21-tetramethylhexatriacontane
CID 174880889
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
2,2-dimethylpropane;heptane
CID 144531055

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene?
The IUPAC name of 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene (CID 174767286) is 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene.
What is the SMILES notation for 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene?
The canonical SMILES for 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene is CCCCCCCCCCCCCCCCC(C)(C)C1=C(CCCCCCCC)C1.
What is the InChIKey of 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene?
The InChIKey is VXGBGTVZUDKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2/h5-27H2,1-4H3.
What are the key properties of 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene?
1-(2-methyloctadecan-2-yl)-2-octylcyclopropene has a molecular weight of 418.79 g/mol, XLogP of 11.33, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloctadecan-2-yl)-2-octylcyclopropene is sourced from PubChem (CID 174767286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).