[(E)-2-prop-2-enyloct-1-enyl]cyclopentane

C16H28 — CID 134903308

IUPAC[(E)-2-prop-2-enyloct-1-enyl]cyclopentane
SMILESC=CC/C(=C/C1CCCC1)CCCCCC
InChIInChI=1S/C16H28/c1-3-5-6-7-11-15(10-4-2)14-16-12-8-9-13-16/h4,14,16H,2-3,5-13H2,1H3/b15-14-
InChIKeyDKWDGWKUIOCDIL-PFONDFGASA-N
MW220.40 g/mol
LogP5.65
Rot. Bonds8

About [(E)-2-prop-2-enyloct-1-enyl]cyclopentane

[(E)-2-prop-2-enyloct-1-enyl]cyclopentane (PubChem CID 134903308) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is [(E)-2-prop-2-enyloct-1-enyl]cyclopentane.

Molecular Properties

Compound Name[(E)-2-prop-2-enyloct-1-enyl]cyclopentane
PubChem CID134903308
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name[(E)-2-prop-2-enyloct-1-enyl]cyclopentane
SMILESC=CC/C(=C/C1CCCC1)CCCCCC
InChIInChI=1S/C16H28/c1-3-5-6-7-11-15(10-4-2)14-16-12-8-9-13-16/h4,14,16H,2-3,5-13H2,1H3/b15-14-
InChIKeyDKWDGWKUIOCDIL-PFONDFGASA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Beta-Bisabolene
CID 10104370
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
(R)-beta-bisabolene
CID 68128
3-Propyl-1-cyclopentene
CID 36671
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
Cyclohexene, 3-propyl-
CID 138092
Cyclopentene, 1-(3-methylbutyl)-
CID 142186
Cyclopentene, 1-(2-methylpropyl)-
CID 143006
1-Methyl-3-(2-methyl-1-propenyl)cyclopentane
CID 522602
3,7,11,15-Tetramethyl-2-hexadecene
CID 5366161

Frequently Asked Questions

What is the IUPAC name of [(E)-2-prop-2-enyloct-1-enyl]cyclopentane?
The IUPAC name of [(E)-2-prop-2-enyloct-1-enyl]cyclopentane (CID 134903308) is [(E)-2-prop-2-enyloct-1-enyl]cyclopentane.
What is the SMILES notation for [(E)-2-prop-2-enyloct-1-enyl]cyclopentane?
The canonical SMILES for [(E)-2-prop-2-enyloct-1-enyl]cyclopentane is C=CC/C(=C/C1CCCC1)CCCCCC.
What is the InChIKey of [(E)-2-prop-2-enyloct-1-enyl]cyclopentane?
The InChIKey is DKWDGWKUIOCDIL-PFONDFGASA-N. The full InChI is InChI=1S/C16H28/c1-3-5-6-7-11-15(10-4-2)14-16-12-8-9-13-16/h4,14,16H,2-3,5-13H2,1H3/b15-14-.
What are the key properties of [(E)-2-prop-2-enyloct-1-enyl]cyclopentane?
[(E)-2-prop-2-enyloct-1-enyl]cyclopentane has a molecular weight of 220.40 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-prop-2-enyloct-1-enyl]cyclopentane is sourced from PubChem (CID 134903308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).