cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane

C14H28 — CID 143682389

IUPACcis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
SMILESCCCC1C[C@](C)(CC)[C@](C)(CC)C1
InChIInChI=1S/C14H28/c1-6-9-12-10-13(4,7-2)14(5,8-3)11-12/h12H,6-11H2,1-5H3/t12?,13-,14+
InChIKeyWKWZCDZWZBVJST-AGUYFDCRSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds4

About cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane

cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane (PubChem CID 143682389) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
PubChem CID143682389
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Namecis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
SMILESCCCC1C[C@](C)(CC)[C@](C)(CC)C1
InChIInChI=1S/C14H28/c1-6-9-12-10-13(4,7-2)14(5,8-3)11-12/h12H,6-11H2,1-5H3/t12?,13-,14+
InChIKeyWKWZCDZWZBVJST-AGUYFDCRSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-3-propylcyclobutane
CID 19073360
3-propylcyclobutane-1,1-diol
CID 18328679
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
1,1-bis(methoxymethyl)-3-propylcyclobutane
CID 141062334
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
(1-phosphono-3-propylcyclobutyl)phosphonic acid
CID 19821558
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
ethane;propane;propylcyclopropane
CID 145406182
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792
N-(2,2-dimethylcyclopropyl)-4-propylcyclohexan-1-amine
CID 61223206
2,5-dipropyl-1,3-dioxane
CID 21043213

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane?
The IUPAC name of cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane (CID 143682389) is cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane.
What is the SMILES notation for cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane?
The canonical SMILES for cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane is CCCC1C[C@](C)(CC)[C@](C)(CC)C1.
What is the InChIKey of cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane?
The InChIKey is WKWZCDZWZBVJST-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H28/c1-6-9-12-10-13(4,7-2)14(5,8-3)11-12/h12H,6-11H2,1-5H3/t12?,13-,14+.
What are the key properties of cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane?
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane is sourced from PubChem (CID 143682389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).