1-nonylcyclooctene

C17H32 — CID 151486862

IUPAC1-nonylcyclooctene
SMILESCCCCCCCCCC1=CCCCCCC1
InChIInChI=1S/C17H32/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-17/h15H,2-14,16H2,1H3
InChIKeyPNQHPQMKNMAMIZ-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.41
Rot. Bonds8

About 1-nonylcyclooctene

1-nonylcyclooctene (PubChem CID 151486862) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-nonylcyclooctene.

Molecular Properties

Compound Name1-nonylcyclooctene
PubChem CID151486862
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-nonylcyclooctene
SMILESCCCCCCCCCC1=CCCCCCC1
InChIInChI=1S/C17H32/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-17/h15H,2-14,16H2,1H3
InChIKeyPNQHPQMKNMAMIZ-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.41
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

1-hexylcycloheptene
CID 15587826
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-butylcyclononene
CID 56981158
1-octadec-9-enylcyclohexene
CID 123690376
1-hexylcyclobutene
CID 86205685
1-(5-methyltridecyl)cyclopentene
CID 142058433
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082

Frequently Asked Questions

What is the IUPAC name of 1-nonylcyclooctene?
The IUPAC name of 1-nonylcyclooctene (CID 151486862) is 1-nonylcyclooctene.
What is the SMILES notation for 1-nonylcyclooctene?
The canonical SMILES for 1-nonylcyclooctene is CCCCCCCCCC1=CCCCCCC1.
What is the InChIKey of 1-nonylcyclooctene?
The InChIKey is PNQHPQMKNMAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-17/h15H,2-14,16H2,1H3.
What are the key properties of 1-nonylcyclooctene?
1-nonylcyclooctene has a molecular weight of 236.44 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylcyclooctene is sourced from PubChem (CID 151486862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).