2-ethyl-4-methylbicyclo[3.1.1]heptane

C10H18 — CID 148678391

IUPAC2-ethyl-4-methylbicyclo[3.1.1]heptane
SMILESCCC1CC(C)C2CC1C2
InChIInChI=1S/C10H18/c1-3-8-4-7(2)9-5-10(8)6-9/h7-10H,3-6H2,1-2H3
InChIKeyNRCJMNAJGIEFRA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-4-methylbicyclo[3.1.1]heptane

2-ethyl-4-methylbicyclo[3.1.1]heptane (PubChem CID 148678391) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-4-methylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-ethyl-4-methylbicyclo[3.1.1]heptane
PubChem CID148678391
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-4-methylbicyclo[3.1.1]heptane
SMILESCCC1CC(C)C2CC1C2
InChIInChI=1S/C10H18/c1-3-8-4-7(2)9-5-10(8)6-9/h7-10H,3-6H2,1-2H3
InChIKeyNRCJMNAJGIEFRA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
(2-ethyl-4-methylcyclobutyl)methanol
CID 123868868
6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
1-ethyl-3-methoxy-2,4-dimethylcyclopentane
CID 123552020
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylbicyclo[3.1.1]heptane?
The IUPAC name of 2-ethyl-4-methylbicyclo[3.1.1]heptane (CID 148678391) is 2-ethyl-4-methylbicyclo[3.1.1]heptane.
What is the SMILES notation for 2-ethyl-4-methylbicyclo[3.1.1]heptane?
The canonical SMILES for 2-ethyl-4-methylbicyclo[3.1.1]heptane is CCC1CC(C)C2CC1C2.
What is the InChIKey of 2-ethyl-4-methylbicyclo[3.1.1]heptane?
The InChIKey is NRCJMNAJGIEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-8-4-7(2)9-5-10(8)6-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-methylbicyclo[3.1.1]heptane?
2-ethyl-4-methylbicyclo[3.1.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylbicyclo[3.1.1]heptane is sourced from PubChem (CID 148678391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).