(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane

C18H36 — CID 123601549

IUPAC(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane
SMILESCCC(C)CCC(C)(CC)CCCC(C)C1CC1
InChIInChI=1S/C18H36/c1-6-15(3)12-14-18(5,7-2)13-8-9-16(4)17-10-11-17/h15-17H,6-14H2,1-5H3
InChIKeyJEDILLDLPIBCSQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds10

About (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane

(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane (PubChem CID 123601549) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane.

Molecular Properties

Compound Name(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane
PubChem CID123601549
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane
SMILESCCC(C)CCC(C)(CC)CCCC(C)C1CC1
InChIInChI=1S/C18H36/c1-6-15(3)12-14-18(5,7-2)13-8-9-16(4)17-10-11-17/h15-17H,6-14H2,1-5H3
InChIKeyJEDILLDLPIBCSQ-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane?
The IUPAC name of (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane (CID 123601549) is (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane.
What is the SMILES notation for (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane?
The canonical SMILES for (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane is CCC(C)CCC(C)(CC)CCCC(C)C1CC1.
What is the InChIKey of (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane?
The InChIKey is JEDILLDLPIBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-15(3)12-14-18(5,7-2)13-8-9-16(4)17-10-11-17/h15-17H,6-14H2,1-5H3.
What are the key properties of (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane?
(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane is sourced from PubChem (CID 123601549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).