3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane

C16H28 — CID 90815022

IUPAC3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane
SMILESCCC1C2C(C)C2C1(C)C1(C(C)C)CC1C
InChIInChI=1S/C16H28/c1-7-12-13-11(5)14(13)15(12,6)16(9(2)3)8-10(16)4/h9-14H,7-8H2,1-6H3
InChIKeyKSSMPDZGGFAXIO-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.60
Rot. Bonds3

About 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane

3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane (PubChem CID 90815022) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane
PubChem CID90815022
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane
SMILESCCC1C2C(C)C2C1(C)C1(C(C)C)CC1C
InChIInChI=1S/C16H28/c1-7-12-13-11(5)14(13)15(12,6)16(9(2)3)8-10(16)4/h9-14H,7-8H2,1-6H3
InChIKeyKSSMPDZGGFAXIO-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane?
The IUPAC name of 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane (CID 90815022) is 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane is CCC1C2C(C)C2C1(C)C1(C(C)C)CC1C.
What is the InChIKey of 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane?
The InChIKey is KSSMPDZGGFAXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-7-12-13-11(5)14(13)15(12,6)16(9(2)3)8-10(16)4/h9-14H,7-8H2,1-6H3.
What are the key properties of 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane?
3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane has a molecular weight of 220.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 90815022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).