1-oct-1-ynylcyclopentene

C13H20 — CID 10910108

IUPAC1-oct-1-ynylcyclopentene
SMILESCCCCCCC#CC1=CCCC1
InChIInChI=1S/C13H20/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h11H,2-6,8-9,12H2,1H3
InChIKeyMPOICCDRLLYVNN-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.07
Rot. Bonds4

About 1-oct-1-ynylcyclopentene

1-oct-1-ynylcyclopentene (PubChem CID 10910108) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-oct-1-ynylcyclopentene.

Molecular Properties

Compound Name1-oct-1-ynylcyclopentene
PubChem CID10910108
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-oct-1-ynylcyclopentene
SMILESCCCCCCC#CC1=CCCC1
InChIInChI=1S/C13H20/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h11H,2-6,8-9,12H2,1H3
InChIKeyMPOICCDRLLYVNN-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Propyl-3-heptene
CID 138270
Cyclopentene, 1-butyl-
CID 137594
Cyclopentene, 1-pentyl-
CID 138179
1-Hexylcyclopentene
CID 138180
Cyclopentene, 1-heptyl-
CID 138181
2-Methyl-2-nonene
CID 519858
1-Octyl-1-cyclopentene
CID 521378
4-Ethyl-3-octen
CID 521478
3-Methyl-2-octene
CID 5463609
1-Decylcyclopentene
CID 18757652
1,1'-Ethyne-1,2-diyldicyclohexene
CID 235024
6-Methyl-5-undecene
CID 5364655

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-ynylcyclopentene?
The IUPAC name of 1-oct-1-ynylcyclopentene (CID 10910108) is 1-oct-1-ynylcyclopentene.
What is the SMILES notation for 1-oct-1-ynylcyclopentene?
The canonical SMILES for 1-oct-1-ynylcyclopentene is CCCCCCC#CC1=CCCC1.
What is the InChIKey of 1-oct-1-ynylcyclopentene?
The InChIKey is MPOICCDRLLYVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h11H,2-6,8-9,12H2,1H3.
What are the key properties of 1-oct-1-ynylcyclopentene?
1-oct-1-ynylcyclopentene has a molecular weight of 176.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-ynylcyclopentene is sourced from PubChem (CID 10910108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).