1-ethyl-1-(propan-2-yloxymethyl)cyclopropane

C9H18O — CID 157344699

IUPAC1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
SMILESCCC1(COC(C)C)CC1
InChIInChI=1S/C9H18O/c1-4-9(5-6-9)7-10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyNJTWDGIRFFNFEG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds4

About 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane

1-ethyl-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 157344699) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID157344699
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
SMILESCCC1(COC(C)C)CC1
InChIInChI=1S/C9H18O/c1-4-9(5-6-9)7-10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyNJTWDGIRFFNFEG-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 157114602
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 165446225
1-(bromomethyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 65007526
N-ethyl-1-methoxy-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 170601924
2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
CID 65492550
N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine
CID 171727679
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
CID 157114604
2-ethyl-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568736
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane (CID 157344699) is 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane is CCC1(COC(C)C)CC1.
What is the InChIKey of 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is NJTWDGIRFFNFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9(5-6-9)7-10-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane?
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 157344699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).