2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane

C15H26 — CID 91019918

IUPAC2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1CC2C(CCC3(C)CC3)CC12
InChIInChI=1S/C15H26/c1-10(2)12-9-13-11(8-14(12)13)4-5-15(3)6-7-15/h10-14H,4-9H2,1-3H3
InChIKeyNGZKAQFZUFCFMJ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds4

About 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane

2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane (PubChem CID 91019918) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane
PubChem CID91019918
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1CC2C(CCC3(C)CC3)CC12
InChIInChI=1S/C15H26/c1-10(2)12-9-13-11(8-14(12)13)4-5-15(3)6-7-15/h10-14H,4-9H2,1-3H3
InChIKeyNGZKAQFZUFCFMJ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
(2R)-4-(1-methylcyclopropyl)butan-2-amine
CID 147194388
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117
(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
CID 163485393
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
N-[2-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 130702275
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
CID 143376403
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane?
The IUPAC name of 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane (CID 91019918) is 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane.
What is the SMILES notation for 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane?
The canonical SMILES for 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane is CC(C)C1CC2C(CCC3(C)CC3)CC12.
What is the InChIKey of 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane?
The InChIKey is NGZKAQFZUFCFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)12-9-13-11(8-14(12)13)4-5-15(3)6-7-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane?
2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane has a molecular weight of 206.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylcyclopropyl)ethyl]-5-propan-2-ylbicyclo[2.2.0]hexane is sourced from PubChem (CID 91019918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).