1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane

C14H28 — CID 123223182

IUPAC1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane
SMILESCC(C)CCC(C)C(C)C1C(C)C1C
InChIInChI=1S/C14H28/c1-9(2)7-8-10(3)11(4)14-12(5)13(14)6/h9-14H,7-8H2,1-6H3
InChIKeyNGEYROOWVXQPRD-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.60
Rot. Bonds5

About 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane

1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane (PubChem CID 123223182) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane.

Molecular Properties

Compound Name1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane
PubChem CID123223182
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane
SMILESCC(C)CCC(C)C(C)C1C(C)C1C
InChIInChI=1S/C14H28/c1-9(2)7-8-10(3)11(4)14-12(5)13(14)6/h9-14H,7-8H2,1-6H3
InChIKeyNGEYROOWVXQPRD-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane?
The IUPAC name of 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane (CID 123223182) is 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane.
What is the SMILES notation for 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane?
The canonical SMILES for 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane is CC(C)CCC(C)C(C)C1C(C)C1C.
What is the InChIKey of 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane?
The InChIKey is NGEYROOWVXQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-9(2)7-8-10(3)11(4)14-12(5)13(14)6/h9-14H,7-8H2,1-6H3.
What are the key properties of 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane?
1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane is sourced from PubChem (CID 123223182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).