2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane

C28H56 — CID 123653501

IUPAC2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane
SMILESCCCC(C)C(C)C(CC)CC(C)CC(C)CC(C)C(C)C(C)C1CC1(C)C
InChIInChI=1S/C28H56/c1-12-14-21(5)24(8)26(13-2)17-20(4)15-19(3)16-22(6)23(7)25(9)27-18-28(27,10)11/h19-27H,12-18H2,1-11H3
InChIKeyVBVMOGROWFOPQO-UHFFFAOYSA-N
MW392.76 g/mol
LogP9.48
Rot. Bonds14

About 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane

2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane (PubChem CID 123653501) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane
PubChem CID123653501
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane
SMILESCCCC(C)C(C)C(CC)CC(C)CC(C)CC(C)C(C)C(C)C1CC1(C)C
InChIInChI=1S/C28H56/c1-12-14-21(5)24(8)26(13-2)17-20(4)15-19(3)16-22(6)23(7)25(9)27-18-28(27,10)11/h19-27H,12-18H2,1-11H3
InChIKeyVBVMOGROWFOPQO-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
5-ethyl-2,6,7-trimethyldecane
CID 123648141
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
CID 59084993
4,5-diethyloctane
CID 519254
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
4,5,7-trimethyldecane
CID 57490926
3,5,7,9-tetramethyldodecane
CID 91047062

Frequently Asked Questions

What is the IUPAC name of 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane (CID 123653501) is 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane is CCCC(C)C(C)C(CC)CC(C)CC(C)CC(C)C(C)C(C)C1CC1(C)C.
What is the InChIKey of 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane?
The InChIKey is VBVMOGROWFOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-12-14-21(5)24(8)26(13-2)17-20(4)15-19(3)16-22(6)23(7)25(9)27-18-28(27,10)11/h19-27H,12-18H2,1-11H3.
What are the key properties of 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane?
2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane has a molecular weight of 392.76 g/mol, XLogP of 9.48, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 123653501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).