1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C14H26 — CID 162292687

IUPAC1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC1CC2C(CC)C(C)CC2C1C
InChIInChI=1S/C14H26/c1-5-11-8-14-12(6-2)9(3)7-13(14)10(11)4/h9-14H,5-8H2,1-4H3
InChIKeyTVJRVWUWENOTAO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds2

About 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 162292687) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID162292687
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC1CC2C(CC)C(C)CC2C1C
InChIInChI=1S/C14H26/c1-5-11-8-14-12(6-2)9(3)7-13(14)10(11)4/h9-14H,5-8H2,1-4H3
InChIKeyTVJRVWUWENOTAO-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Dimethyl-3-(1-methylethyl)cyclopentane
CID 544190
1,1-Dicyclopentylethane
CID 301115
Octahydro-1-methylpentalene
CID 36099
Octahydropentalene
CID 136508
Octahydro-2-methylpentalene
CID 557010
Perhydrotriquinacene
CID 140280
1-(2-Octyldecyl)octahydropentalene
CID 298063
1,2-Dimethyl-3-ethylcyclopentane
CID 524809
Cyclopentane, 2-ethyl-1,4-dimethyl
CID 524810
1,2-Dicyclopentyl-propane
CID 57131610
Decahydro-4H-cyclopentacyclooctene
CID 549132
1-cis-4-Dimethyl-trans-2-ethylcyclopentane
CID 6427926

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 162292687) is 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CCC1CC2C(CC)C(C)CC2C1C.
What is the InChIKey of 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is TVJRVWUWENOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-11-8-14-12(6-2)9(3)7-13(14)10(11)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 194.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 162292687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).