2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane

C12H22 — CID 163423842

IUPAC2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane
SMILESCC/C=C\C1CCC(C)C1(C)C
InChIInChI=1S/C12H22/c1-5-6-7-11-9-8-10(2)12(11,3)4/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-
InChIKeyAKUBLFHRVWBINZ-SREVYHEPSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds2

About 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane

2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane (PubChem CID 163423842) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane
PubChem CID163423842
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane
SMILESCC/C=C\C1CCC(C)C1(C)C
InChIInChI=1S/C12H22/c1-5-6-7-11-9-8-10(2)12(11,3)4/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-
InChIKeyAKUBLFHRVWBINZ-SREVYHEPSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
3-but-1-enyl-2,2,5-trimethylcyclopentan-1-one
CID 168861670
6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene
CID 170315816
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
3-[(1S)-2-[(E)-but-1-enyl]-1-methylcyclopropyl]propan-1-amine
CID 89135309
ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
CID 155738188
[(E)-but-1-enyl]cyclodecane
CID 173272598
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
CID 141208854
1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane?
The IUPAC name of 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane (CID 163423842) is 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane is CC/C=C\C1CCC(C)C1(C)C.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane?
The InChIKey is AKUBLFHRVWBINZ-SREVYHEPSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-7-11-9-8-10(2)12(11,3)4/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-.
What are the key properties of 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane?
2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane is sourced from PubChem (CID 163423842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).