1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane

C16H28 — CID 123928843

IUPAC1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane
SMILESC=CC(=C(C)CC1(CC)CCCC1)C(C)C
InChIInChI=1S/C16H28/c1-6-15(13(3)4)14(5)12-16(7-2)10-8-9-11-16/h6,13H,1,7-12H2,2-5H3
InChIKeyVWWARHFUBBVEHS-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.51
Rot. Bonds5

About 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane

1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane (PubChem CID 123928843) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane.

Molecular Properties

Compound Name1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane
PubChem CID123928843
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane
SMILESC=CC(=C(C)CC1(CC)CCCC1)C(C)C
InChIInChI=1S/C16H28/c1-6-15(13(3)4)14(5)12-16(7-2)10-8-9-11-16/h6,13H,1,7-12H2,2-5H3
InChIKeyVWWARHFUBBVEHS-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane
CID 123856253
1-but-3-en-2-yl-1-ethylcyclopentane;propane
CID 145053026
1,1-diethylcyclohexane;ethane
CID 142116480
(1-ethylcycloheptyl)methanol
CID 56982411
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
CID 143490396
1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
CID 91128613
1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
CID 144910534
4-(1-ethylcyclobutyl)butan-2-ol
CID 130601505
2-(1-ethylcycloheptyl)ethanol
CID 164557788

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane?
The IUPAC name of 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane (CID 123928843) is 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane.
What is the SMILES notation for 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane?
The canonical SMILES for 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane is C=CC(=C(C)CC1(CC)CCCC1)C(C)C.
What is the InChIKey of 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane?
The InChIKey is VWWARHFUBBVEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-15(13(3)4)14(5)12-16(7-2)10-8-9-11-16/h6,13H,1,7-12H2,2-5H3.
What are the key properties of 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane?
1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane has a molecular weight of 220.40 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane is sourced from PubChem (CID 123928843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).