1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane

C11H22 — CID 91370264

IUPAC1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
SMILESCC(C)C(C)C1(C)C(C)C1C
InChIInChI=1S/C11H22/c1-7(2)8(3)11(6)9(4)10(11)5/h7-10H,1-6H3
InChIKeyIQVIJWSGEDEWIF-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.57
Rot. Bonds2

About 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane

1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane (PubChem CID 91370264) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
PubChem CID91370264
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
SMILESCC(C)C(C)C1(C)C(C)C1C
InChIInChI=1S/C11H22/c1-7(2)8(3)11(6)9(4)10(11)5/h7-10H,1-6H3
InChIKeyIQVIJWSGEDEWIF-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane (CID 91370264) is 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane is CC(C)C(C)C1(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane?
The InChIKey is IQVIJWSGEDEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-7(2)8(3)11(6)9(4)10(11)5/h7-10H,1-6H3.
What are the key properties of 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane?
1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane is sourced from PubChem (CID 91370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).