1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane

C20H34O — CID 22988874

IUPAC1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane
SMILESCCC1(C2(OC3(C4(CC)CC4C)CC3C)CC2C)CC1C
InChIInChI=1S/C20H34O/c1-7-17(9-13(17)3)19(11-15(19)5)21-20(12-16(20)6)18(8-2)10-14(18)4/h13-16H,7-12H2,1-6H3
InChIKeyQCCBSFDTTZOLMV-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.43
Rot. Bonds6

About 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane

1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane (PubChem CID 22988874) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane
PubChem CID22988874
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane
SMILESCCC1(C2(OC3(C4(CC)CC4C)CC3C)CC2C)CC1C
InChIInChI=1S/C20H34O/c1-7-17(9-13(17)3)19(11-15(19)5)21-20(12-16(20)6)18(8-2)10-14(18)4/h13-16H,7-12H2,1-6H3
InChIKeyQCCBSFDTTZOLMV-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane?
The IUPAC name of 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane (CID 22988874) is 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane.
What is the SMILES notation for 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane?
The canonical SMILES for 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane is CCC1(C2(OC3(C4(CC)CC4C)CC3C)CC2C)CC1C.
What is the InChIKey of 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane?
The InChIKey is QCCBSFDTTZOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-7-17(9-13(17)3)19(11-15(19)5)21-20(12-16(20)6)18(8-2)10-14(18)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane?
1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane has a molecular weight of 290.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-[1-(1-ethyl-2-methylcyclopropyl)-2-methylcyclopropyl]oxy-2-methylcyclopropyl]-2-methylcyclopropane is sourced from PubChem (CID 22988874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).