(1Z)-1,2-dipentylcyclononene

C19H36 — CID 134981785

IUPAC(1Z)-1,2-dipentylcyclononene
SMILESCCCCC/C1=C(\CCCCC)CCCCCCC1
InChIInChI=1S/C19H36/c1-3-5-10-14-18-16-12-8-7-9-13-17-19(18)15-11-6-4-2/h3-17H2,1-2H3/b19-18-
InChIKeyLQCPXRSFWXKCIC-HNENSFHCSA-N
MW264.50 g/mol
LogP7.19
Rot. Bonds8

About (1Z)-1,2-dipentylcyclononene

(1Z)-1,2-dipentylcyclononene (PubChem CID 134981785) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (1Z)-1,2-dipentylcyclononene.

Molecular Properties

Compound Name(1Z)-1,2-dipentylcyclononene
PubChem CID134981785
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(1Z)-1,2-dipentylcyclononene
SMILESCCCCC/C1=C(\CCCCC)CCCCCCC1
InChIInChI=1S/C19H36/c1-3-5-10-14-18-16-12-8-7-9-13-17-19(18)15-11-6-4-2/h3-17H2,1-2H3/b19-18-
InChIKeyLQCPXRSFWXKCIC-HNENSFHCSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 57.19
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

1,2-dihexylcyclohexene
CID 19795043
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
1-butyl-2-ethylcyclopentene
CID 154086983
1-butyl-2-methylcyclohexene;ethane
CID 145390002
1,2-diheptylcyclopropene
CID 557048
(2-hexylcyclopenten-1-yl)-trimethylsilane
CID 553181
1-butyl-2-hexylcyclopropene
CID 134897823
cyclobutane;ethane;hexane
CID 143857678
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
alumane;cyclohexane;hexane
CID 175455201

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2-dipentylcyclononene?
The IUPAC name of (1Z)-1,2-dipentylcyclononene (CID 134981785) is (1Z)-1,2-dipentylcyclononene.
What is the SMILES notation for (1Z)-1,2-dipentylcyclononene?
The canonical SMILES for (1Z)-1,2-dipentylcyclononene is CCCCC/C1=C(\CCCCC)CCCCCCC1.
What is the InChIKey of (1Z)-1,2-dipentylcyclononene?
The InChIKey is LQCPXRSFWXKCIC-HNENSFHCSA-N. The full InChI is InChI=1S/C19H36/c1-3-5-10-14-18-16-12-8-7-9-13-17-19(18)15-11-6-4-2/h3-17H2,1-2H3/b19-18-.
What are the key properties of (1Z)-1,2-dipentylcyclononene?
(1Z)-1,2-dipentylcyclononene has a molecular weight of 264.50 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2-dipentylcyclononene is sourced from PubChem (CID 134981785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).