1-ethyl-3,5-di(propan-2-yl)cyclohexane

C14H28 — CID 90833557

IUPAC1-ethyl-3,5-di(propan-2-yl)cyclohexane
SMILESCCC1CC(C(C)C)CC(C(C)C)C1
InChIInChI=1S/C14H28/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-14H,6-9H2,1-5H3
InChIKeyRVPFIWYRBBYGIB-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds3

About 1-ethyl-3,5-di(propan-2-yl)cyclohexane

1-ethyl-3,5-di(propan-2-yl)cyclohexane (PubChem CID 90833557) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-3,5-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-3,5-di(propan-2-yl)cyclohexane
PubChem CID90833557
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-3,5-di(propan-2-yl)cyclohexane
SMILESCCC1CC(C(C)C)CC(C(C)C)C1
InChIInChI=1S/C14H28/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-14H,6-9H2,1-5H3
InChIKeyRVPFIWYRBBYGIB-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3aS,6aR)-2-ethyl-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 177020606
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
3-ethyl-1,5-di(propan-2-yl)piperidine
CID 135137070
1-(cyclopropylmethyl)-3-propan-2-ylcyclobutane
CID 91314606
1-(3-ethylcyclobutyl)propan-1-amine
CID 144526392
2-(3-propan-2-ylcyclobutyl)ethanol
CID 70261378
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 177011505
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
1,3-diethylcyclobutane;methane;propane
CID 161327157

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-di(propan-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-3,5-di(propan-2-yl)cyclohexane (CID 90833557) is 1-ethyl-3,5-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-3,5-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-3,5-di(propan-2-yl)cyclohexane is CCC1CC(C(C)C)CC(C(C)C)C1.
What is the InChIKey of 1-ethyl-3,5-di(propan-2-yl)cyclohexane?
The InChIKey is RVPFIWYRBBYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-ethyl-3,5-di(propan-2-yl)cyclohexane?
1-ethyl-3,5-di(propan-2-yl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 90833557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).