1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane

C14H26 — CID 123798468

IUPAC1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
SMILESCC(C)C1CC1C(C)C(C)C1CC1C
InChIInChI=1S/C14H26/c1-8(2)12-7-14(12)11(5)10(4)13-6-9(13)3/h8-14H,6-7H2,1-5H3
InChIKeyWEWLONIDYJLFFE-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.21
Rot. Bonds4

About 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane

1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane (PubChem CID 123798468) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane.

Molecular Properties

Compound Name1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
PubChem CID123798468
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
SMILESCC(C)C1CC1C(C)C(C)C1CC1C
InChIInChI=1S/C14H26/c1-8(2)12-7-14(12)11(5)10(4)13-6-9(13)3/h8-14H,6-7H2,1-5H3
InChIKeyWEWLONIDYJLFFE-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane?
The IUPAC name of 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane (CID 123798468) is 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane.
What is the SMILES notation for 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane?
The canonical SMILES for 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane is CC(C)C1CC1C(C)C(C)C1CC1C.
What is the InChIKey of 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane?
The InChIKey is WEWLONIDYJLFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-8(2)12-7-14(12)11(5)10(4)13-6-9(13)3/h8-14H,6-7H2,1-5H3.
What are the key properties of 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane?
1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane has a molecular weight of 194.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane is sourced from PubChem (CID 123798468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).