1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane

C12H24O — CID 123946271

IUPAC1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane
SMILESCC(C)OC1(CC(C)C(C)C)CC1
InChIInChI=1S/C12H24O/c1-9(2)11(5)8-12(6-7-12)13-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyCKADBXLBNAOXLH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds5

About 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane

1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane (PubChem CID 123946271) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane
PubChem CID123946271
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane
SMILESCC(C)OC1(CC(C)C(C)C)CC1
InChIInChI=1S/C12H24O/c1-9(2)11(5)8-12(6-7-12)13-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyCKADBXLBNAOXLH-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane?
The IUPAC name of 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane (CID 123946271) is 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane is CC(C)OC1(CC(C)C(C)C)CC1.
What is the InChIKey of 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane?
The InChIKey is CKADBXLBNAOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)11(5)8-12(6-7-12)13-10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane?
1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane is sourced from PubChem (CID 123946271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).