1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane

C16H32 — CID 91297602

IUPAC1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
SMILESCCCC(C)C1CC(CC)C(C(C)C)C1C
InChIInChI=1S/C16H32/c1-7-9-12(5)15-10-14(8-2)16(11(3)4)13(15)6/h11-16H,7-10H2,1-6H3
InChIKeyBRLPIOFLNIDFFY-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.38
Rot. Bonds5

About 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane

1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane (PubChem CID 91297602) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
PubChem CID91297602
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
SMILESCCCC(C)C1CC(CC)C(C(C)C)C1C
InChIInChI=1S/C16H32/c1-7-9-12(5)15-10-14(8-2)16(11(3)4)13(15)6/h11-16H,7-10H2,1-6H3
InChIKeyBRLPIOFLNIDFFY-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane?
The IUPAC name of 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane (CID 91297602) is 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane is CCCC(C)C1CC(CC)C(C(C)C)C1C.
What is the InChIKey of 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane?
The InChIKey is BRLPIOFLNIDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-9-12(5)15-10-14(8-2)16(11(3)4)13(15)6/h11-16H,7-10H2,1-6H3.
What are the key properties of 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane?
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane has a molecular weight of 224.43 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane is sourced from PubChem (CID 91297602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).