1-(2-chlorononyl)-2-hexylcyclopropane

C18H35Cl — CID 70489561

IUPAC1-(2-chlorononyl)-2-hexylcyclopropane
SMILESCCCCCCCC(Cl)CC1CC1CCCCCC
InChIInChI=1S/C18H35Cl/c1-3-5-7-9-11-13-18(19)15-17-14-16(17)12-10-8-6-4-2/h16-18H,3-15H2,1-2H3
InChIKeyIDBRBPYEWXHKNR-UHFFFAOYSA-N
MW286.93 g/mol
LogP6.95
Rot. Bonds13

About 1-(2-chlorononyl)-2-hexylcyclopropane

1-(2-chlorononyl)-2-hexylcyclopropane (PubChem CID 70489561) has the molecular formula C18H35Cl and a molecular weight of 286.93 g/mol. Its IUPAC name is 1-(2-chlorononyl)-2-hexylcyclopropane.

Molecular Properties

Compound Name1-(2-chlorononyl)-2-hexylcyclopropane
PubChem CID70489561
Molecular FormulaC18H35Cl
Molecular Weight286.93 g/mol
Exact Mass286.24
IUPAC Name1-(2-chlorononyl)-2-hexylcyclopropane
SMILESCCCCCCCC(Cl)CC1CC1CCCCCC
InChIInChI=1S/C18H35Cl/c1-3-5-7-9-11-13-18(19)15-17-14-16(17)12-10-8-6-4-2/h16-18H,3-15H2,1-2H3
InChIKeyIDBRBPYEWXHKNR-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.93
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623
1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
CID 126711427
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336
N,N-dimethyl-1-(2-nonylcyclopropyl)heptadecan-8-amine
CID 138529106
17-chlorotritriacontane
CID 87852962
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorononyl)-2-hexylcyclopropane?
The IUPAC name of 1-(2-chlorononyl)-2-hexylcyclopropane (CID 70489561) is 1-(2-chlorononyl)-2-hexylcyclopropane.
What is the SMILES notation for 1-(2-chlorononyl)-2-hexylcyclopropane?
The canonical SMILES for 1-(2-chlorononyl)-2-hexylcyclopropane is CCCCCCCC(Cl)CC1CC1CCCCCC.
What is the InChIKey of 1-(2-chlorononyl)-2-hexylcyclopropane?
The InChIKey is IDBRBPYEWXHKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35Cl/c1-3-5-7-9-11-13-18(19)15-17-14-16(17)12-10-8-6-4-2/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(2-chlorononyl)-2-hexylcyclopropane?
1-(2-chlorononyl)-2-hexylcyclopropane has a molecular weight of 286.93 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorononyl)-2-hexylcyclopropane is sourced from PubChem (CID 70489561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).