3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane

C14H26 — CID 123742163

IUPAC3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
SMILESCCC1CC2C(C(C)C)C(C)C2C1C
InChIInChI=1S/C14H26/c1-6-11-7-12-13(8(2)3)10(5)14(12)9(11)4/h8-14H,6-7H2,1-5H3
InChIKeyISYYWMIVDXJABS-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.21
Rot. Bonds2

About 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane

3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane (PubChem CID 123742163) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
PubChem CID123742163
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
SMILESCCC1CC2C(C(C)C)C(C)C2C1C
InChIInChI=1S/C14H26/c1-6-11-7-12-13(8(2)3)10(5)14(12)9(11)4/h8-14H,6-7H2,1-5H3
InChIKeyISYYWMIVDXJABS-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,8,12,14-tetramethyl-5-propan-2-ylpentacyclo[8.6.0.02,9.03,6.013,16]hexadecane
CID 123539722
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
CID 91436616
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
2,5-diethylbicyclo[2.1.0]pentane
CID 123547892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The IUPAC name of 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane (CID 123742163) is 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane.
What is the SMILES notation for 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The canonical SMILES for 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane is CCC1CC2C(C(C)C)C(C)C2C1C.
What is the InChIKey of 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The InChIKey is ISYYWMIVDXJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-11-7-12-13(8(2)3)10(5)14(12)9(11)4/h8-14H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane?
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane has a molecular weight of 194.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane is sourced from PubChem (CID 123742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).