1-nonyl-4-prop-2-enylcyclohexene

C18H32 — CID 175939867

IUPAC1-nonyl-4-prop-2-enylcyclohexene
SMILESC=CCC1CC=C(CCCCCCCCC)CC1
InChIInChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,15,17H,2-3,5-14,16H2,1H3
InChIKeyWUMVKKVYWUOFQJ-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.43
Rot. Bonds10

About 1-nonyl-4-prop-2-enylcyclohexene

1-nonyl-4-prop-2-enylcyclohexene (PubChem CID 175939867) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-nonyl-4-prop-2-enylcyclohexene.

Molecular Properties

Compound Name1-nonyl-4-prop-2-enylcyclohexene
PubChem CID175939867
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-nonyl-4-prop-2-enylcyclohexene
SMILESC=CCC1CC=C(CCCCCCCCC)CC1
InChIInChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,15,17H,2-3,5-14,16H2,1H3
InChIKeyWUMVKKVYWUOFQJ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.43
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

4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
1-hexylcyclobutene
CID 86205685
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-pentylbenzene
CID 21464596
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-(2-cycloheptylethyl)-4-hexylcycloheptene
CID 91180129
2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745512
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
CID 67831361

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4-prop-2-enylcyclohexene?
The IUPAC name of 1-nonyl-4-prop-2-enylcyclohexene (CID 175939867) is 1-nonyl-4-prop-2-enylcyclohexene.
What is the SMILES notation for 1-nonyl-4-prop-2-enylcyclohexene?
The canonical SMILES for 1-nonyl-4-prop-2-enylcyclohexene is C=CCC1CC=C(CCCCCCCCC)CC1.
What is the InChIKey of 1-nonyl-4-prop-2-enylcyclohexene?
The InChIKey is WUMVKKVYWUOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,15,17H,2-3,5-14,16H2,1H3.
What are the key properties of 1-nonyl-4-prop-2-enylcyclohexene?
1-nonyl-4-prop-2-enylcyclohexene has a molecular weight of 248.45 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-prop-2-enylcyclohexene is sourced from PubChem (CID 175939867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).