1,1,3-trimethylcyclopentane

C8H16 — CID 20615

IUPAC1,1,3-trimethylcyclopentane
SMILESCC1CCC(C)(C)C1
InChIInChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3
InChIKeyOBKHYUIZSOIEPG-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About 1,1,3-trimethylcyclopentane

1,1,3-trimethylcyclopentane (PubChem CID 20615) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,1,3-trimethylcyclopentane.

Molecular Properties

Compound Name1,1,3-trimethylcyclopentane
PubChem CID20615
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,1,3-trimethylcyclopentane
SMILESCC1CCC(C)(C)C1
InChIInChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3
InChIKeyOBKHYUIZSOIEPG-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-Trimethylhexane
CID 28022
cis-1,1,3,4-Tetramethylcyclopentane
CID 6432537
1-Ethyl-1-methylcyclopentane
CID 28030
2,4,4-Trimethylhexane
CID 28024
1,1,3,3-Tetramethylcyclopentane
CID 123522
Hexane, 4-ethyl-2,2-dimethyl-
CID 142982
Cyclopentane, 3-hexyl-1,1-dimethyl-
CID 544787
1,1-Diethylcyclopentane
CID 520297
4-Ethyl-2,4-dimethylhexane
CID 521420
3-Ethyl-1,1-dimethylcyclopentane
CID 522009
4,4-Diethyl-2-methylhexane
CID 53424690
cis-1,1,2,5-Tetramethyl-cyclopentane
CID 58619855

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethylcyclopentane?
The IUPAC name of 1,1,3-trimethylcyclopentane (CID 20615) is 1,1,3-trimethylcyclopentane.
What is the SMILES notation for 1,1,3-trimethylcyclopentane?
The canonical SMILES for 1,1,3-trimethylcyclopentane is CC1CCC(C)(C)C1.
What is the InChIKey of 1,1,3-trimethylcyclopentane?
The InChIKey is OBKHYUIZSOIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3.
What are the key properties of 1,1,3-trimethylcyclopentane?
1,1,3-trimethylcyclopentane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethylcyclopentane is sourced from PubChem (CID 20615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).