1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane

C17H26 — CID 178047095

IUPAC1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane
SMILESC=CCC1C(/C=C\C)CC(/C=C\CC)C1C=C
InChIInChI=1S/C17H26/c1-5-9-12-15-13-14(10-6-2)17(11-7-3)16(15)8-4/h6-10,12,14-17H,3-5,11,13H2,1-2H3/b10-6-,12-9-
InChIKeyQUXGFFZNNWNJSN-LQBUGXQISA-N
MW230.39 g/mol
LogP5.16
Rot. Bonds6

About 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane

1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane (PubChem CID 178047095) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane
PubChem CID178047095
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane
SMILESC=CCC1C(/C=C\C)CC(/C=C\CC)C1C=C
InChIInChI=1S/C17H26/c1-5-9-12-15-13-14(10-6-2)17(11-7-3)16(15)8-4/h6-10,12,14-17H,3-5,11,13H2,1-2H3/b10-6-,12-9-
InChIKeyQUXGFFZNNWNJSN-LQBUGXQISA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.16
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

trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
1-ethenyl-2-hexa-1,3-dienylcyclopropane
CID 556411
3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 165026935
(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
1-ethenyl-2-pent-1-enylcyclopropane
CID 123214282
(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
CID 166929841
(1R,4S,5R)-5-[(Z)-pent-2-enyl]-6-[(E)-prop-1-enyl]-2,3-dioxabicyclo[2.2.1]heptane
CID 142858534
but-1-ene;(Z)-pent-2-ene
CID 156866422
(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane
CID 173422595
1-ethenyl-2-[(Z)-hex-1-enyl]cyclopropane
CID 5367331
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane?
The IUPAC name of 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane (CID 178047095) is 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane?
The canonical SMILES for 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane is C=CCC1C(/C=C\C)CC(/C=C\CC)C1C=C.
What is the InChIKey of 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane?
The InChIKey is QUXGFFZNNWNJSN-LQBUGXQISA-N. The full InChI is InChI=1S/C17H26/c1-5-9-12-15-13-14(10-6-2)17(11-7-3)16(15)8-4/h6-10,12,14-17H,3-5,11,13H2,1-2H3/b10-6-,12-9-.
What are the key properties of 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane?
1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane has a molecular weight of 230.39 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-2-ethenyl-4-[(Z)-prop-1-enyl]-3-prop-2-enylcyclopentane is sourced from PubChem (CID 178047095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).