cis-(1S,3R)-1,3-dimethylcyclopentane

C7H14 — CID 17326

IUPACcis-(1S,3R)-1,3-dimethylcyclopentane
SMILESC[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyXAZKFISIRYLAEE-KNVOCYPGSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About cis-(1S,3R)-1,3-dimethylcyclopentane

cis-(1S,3R)-1,3-dimethylcyclopentane (PubChem CID 17326) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethylcyclopentane.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-dimethylcyclopentane
PubChem CID17326
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namecis-(1S,3R)-1,3-dimethylcyclopentane
SMILESC[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyXAZKFISIRYLAEE-KNVOCYPGSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Methylcyclopentane
CID 7296
1,3-Dimethylcyclopentane
CID 17149
Ethylcyclopentane
CID 15431
trans-1,3-Dimethylcyclopentane
CID 15656
1,3-trans-Dimethylcyclopentane
CID 13119649
CID 12724627
CID 12724627
trans-(1S,2S)-1-fluoro-2-methylcyclopentane
CID 15261628
cis-(1S,2R)-1-fluoro-2-methylcyclopentane
CID 15261629
CID 5475961
CID 5475961
Cyclopentylmethyllithium
CID 13498411
Dideutero--methylcyclopentane
CID 59989853
CID 60038814
CID 60038814

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane?
The IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane (CID 17326) is cis-(1S,3R)-1,3-dimethylcyclopentane.
What is the SMILES notation for cis-(1S,3R)-1,3-dimethylcyclopentane?
The canonical SMILES for cis-(1S,3R)-1,3-dimethylcyclopentane is C[C@@H]1CC[C@H](C)C1.
What is the InChIKey of cis-(1S,3R)-1,3-dimethylcyclopentane?
The InChIKey is XAZKFISIRYLAEE-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of cis-(1S,3R)-1,3-dimethylcyclopentane?
cis-(1S,3R)-1,3-dimethylcyclopentane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-dimethylcyclopentane is sourced from PubChem (CID 17326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).